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Acenaphthene
CAS: 83-32-9 | C12H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83-32-9
Molecular Formula:
C12H10
Molecular Weight:
154.21199999999993 g/mol
Names and Synonyms:
Acenaphthene
Acenaphthylene, 1,2-dihydro-
Acenaphthene
1,2-Dihydroacenaphthylene
peri-Ethylenenaphthalene
1,8-Ethylenenaphthalene
Naphthyleneethylene
NSC 7657
Identifiers:
SMILES:
c1cc2c3c(cccc3c1)CC2
InChI:
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.21 g/mol | Legacy Database |
| density | 1.02 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Acenaphthene | Legacy Database | |
| cas-boiling-point | 279 °C @ Press: 760 Torr | Legacy Database | |
| cas-canonical-smile | C=1C=C2C=CC=C3C2=C(C1)CC3 | Legacy Database | |
| cas-density | 1.0242 g/cm3 @ Temp: 90 °C | Legacy Database | |
| cas-inchi | InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2 | Legacy Database | |
| cas-inchi-key | InChIKey=CWRYPZZKDGJXCA-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 95 °C | Legacy Database | |
| cas-name | Acenaphthene | Legacy Database | |
| wikipedia-name | Acenaphthene | Legacy Database | |
| LogP | 2.9384000000000006 | RDKit | |
| Molecular | Molecular Weight | 154.21199999999993 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.07825032 g/mol | RDKit |
| Heavy | Heavy Atom Count | 12 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 51.35600000000003 | RDKit |
