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Molecule
Acenaphthene
CAS: 83-32-9 · C12H10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 83-32-9
- Molecular Formula
- C12H10
- Molecular Mass
- 154.21 g/mol
Identifiers
CAS Registry Number
83-32-9
SMILES
c1cc2c3c(cccc3c1)CC2
InChI Key
CWRYPZZKDGJXCA-UHFFFAOYSA-N
InChI
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
Names and Synonyms
- Acenaphthene Synonym
- Acenaphthylene, 1,2-dihydro- Synonym
- Acenaphthene Synonym
- 1,2-Dihydroacenaphthylene Synonym
- peri-Ethylenenaphthalene Synonym
- 1,8-Ethylenenaphthalene Synonym
- Naphthyleneethylene Synonym
- NSC 7657 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.21 g/mol | CAS Common Chemistry |
| 154.21199999999993 g/mol | RDKit | |
| 154.212 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0242 g/cm3 @ 90 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acenaphthene | CAS Common Chemistry |
| Canonical SMILES | C=1C=C2C=CC=C3C2=C(C1)CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CWRYPZZKDGJXCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | Acenaphthene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.9384000000000006 | RDKit |
| 2.9384 | RDKit | |
| Molar Refractivity | 51.35600000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 154.07825032 g/mol | RDKit |
| Boiling Point | 279 °C @ 760 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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Quick conversion
MW = 154.21 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10.
