Back to Search
(±)-Acenaphthenol
CAS: 6306-07-6 | C12H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6306-07-6
Molecular Formula:
C12H10O
Molecular Mass:
170.21 g/mol
Names and Synonyms:
(±)-Acenaphthenol
1-Acenaphthylenol, 1,2-dihydro-
1-Acenaphthenol
1-Acenaphthylenol, 1,2-dihydro-, (±)-
1,2-Dihydro-1-acenaphthylenol
(±)-Acenaphthenol
(±)-1-Acenaphthenol
NSC 22834
1-Acenaphthol
Identifiers:
SMILES:
OC1Cc2cccc3cccc1c23
InChI:
InChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2
Key Properties
Boiling Point
183-193 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
144-145 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.21 g/mol | CAS Common Chemistry |
| 170.21099999999996 g/mol | RDKit | |
| 170.07316494 g/mol | RDKit | |
| Boiling Point | 183-193 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1C2=CC=CC3=CC=CC(=C32)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MXUCIEHYJYRTLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144-145 °C | CAS Common Chemistry |
| Name | (±)-Acenaphthenol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.4293000000000005 | RDKit |
| Molar Refractivity | 52.611800000000024 | RDKit |
