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Molecule
NSC 401908
CAS: 947-19-3 · C13H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 947-19-3
- Molecular Formula
- C13H16O2
- Molecular Mass
- 204.27 g/mol
Identifiers
CAS Registry Number
947-19-3
SMILES
O=C(c1ccccc1)C1(O)CCCCC1
InChI Key
QNODIIQQMGDSEF-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
Names and Synonyms
- NSC 401908 Synonym
- IRG 184 Synonym
- Darocur 184C Synonym
- Runtecure 1104 Synonym
- SR 1122 Synonym
- Photocure 184 Synonym
- Huatai 184 Synonym
- Doublecure 184 Synonym
- Initiator 1104 Synonym
- 184D Synonym
- Chemcure 481 Synonym
- X-Cure 184 Synonym
- Irgacure 189 Synonym
- I 189 Synonym
- Speedcure 184 Synonym
- Suncure 84 Synonym
- Irgacure 1104 Synonym
- Genocure CPK Synonym
- Omnirad 481 Synonym
- Ciba 184 Synonym
- JR 184 Synonym
- UV 184 Synonym
- SB-PI 714 Synonym
- JRCure 1104 Synonym
- Irgacure 1841 Synonym
- Boxing 184 Synonym
- Lunacure 200 Synonym
- BASF 184 Synonym
- JRcure 184 Synonym
- Daido UV-Cure 174 Synonym
- Omnirad 184 Synonym
- MV 5001 Synonym
- 184S Synonym
- Ryoji 184 Synonym
- Gencure 184 Synonym
- Darocur 184 Synonym
- OR 184 Synonym
- IGM 184 Synonym
- Omnirad 184D Synonym
- 1-Hydroxy-1-cyclohexyl phenyl ketone Synonym
- IC 184 Synonym
- Irgacure 184D Synonym
- Esacure KS 300 Synonym
- KS 300 Synonym
- Micure CP 4 Synonym
- Irgacure 183 Synonym
- IHT-PI 184 Synonym
- Additol CPK Synonym
- CPK Synonym
- Luna 200 Synonym
- HCPK Synonym
- Photoinitiator 184 Synonym
- PI 184 Synonym
- 1-Hydroxycyclohexyl Phenyl Ketone Synonym
- Methanone, (1-hydroxycyclohexyl)phenyl- Synonym
- Ketone, 1-hydroxycyclohexyl phenyl Synonym
- (1-Hydroxycyclohexyl)phenylmethanone Synonym
- 1-Benzoyl-1-hydroxycyclohexane Synonym
- Irgacure G 17-1184 Synonym
- 1-Benzoylcyclohexanol Synonym
- 1-Hydroxycyclohexyl phenyl ketone Synonym
- Irgacure 184 Synonym
- α-Hydroxycyclohexyl phenyl ketone Synonym
- α-Hydroxy-α-cyclohexyl phenyl ketone Synonym
- Irgacure 181 Synonym
- Irgacure I 184 Synonym
- I 184 Synonym
- Chivacure 184 Synonym
- SarCure SR 1122 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.27 g/mol | CAS Common Chemistry |
| 204.26899999999992 g/mol | RDKit | |
| 204.269 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2(O)CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QNODIIQQMGDSEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47-49 °C | CAS Common Chemistry |
| Name | 1-Hydroxycyclohexyl phenyl ketone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.5645000000000007 | RDKit |
| 2.5645 | RDKit | |
| Molar Refractivity | 58.80730000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 204.115029752 g/mol | RDKit |
| Boiling Point | 140 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 204.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H16O2.
