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Molecule
NSC 10743
CAS: 3481-02-5 · C10H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3481-02-5
- Molecular Formula
- C10H10O
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
3481-02-5
SMILES
O=C(c1ccccc1)C1CC1
InChI Key
PJRHFTYXYCVOSJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
Names and Synonyms
- NSC 10743 Synonym
- Benzoylcyclopropane Synonym
- Methanone, cyclopropylphenyl- Synonym
- Ketone, cyclopropyl phenyl Synonym
- Cyclopropylphenylmethanone Synonym
- Cyclopropyl phenyl ketone Synonym
- Benzoylcyclopropane Synonym
- Phenyl cyclopropyl ketone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.18899999999994 g/mol | RDKit | |
| 146.189 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0453 g/cm3 @ 26 °C | CAS Common Chemistry | |
| Boiling Point | 122 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PJRHFTYXYCVOSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -7.9 °C | CAS Common Chemistry |
| Name | Benzoylcyclopropane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.2793 | RDKit |
| Molar Refractivity | 43.496500000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 146.07316494 g/mol | RDKit |
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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Quick conversion
MW = 146.19 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O.
