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Molecule
Acenaphthylene
CAS: 208-96-8 · C12H8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 208-96-8
- Molecular Formula
- C12H8
- Molecular Mass
- 152.20 g/mol
Identifiers
CAS Registry Number
208-96-8
SMILES
C1=Cc2cccc3cccc1c23
InChI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
InChI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
Names and Synonyms
- Acenaphthylene Synonym
- Acenaphthylene Synonym
- Cyclopenta[de]naphthalene Synonym
- NSC 59821 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.20 g/mol | CAS Common Chemistry |
| 152.19599999999994 g/mol | RDKit | |
| 152.196 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8988 g/cm3 @ 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acenaphthylene | CAS Common Chemistry |
| Boiling Point | 265-275 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C2C=CC=C3C=CC(C1)=C23 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=HXGDTGSAIMULJN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92-93 °C | CAS Common Chemistry |
| Name | Acenaphthylene | 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 | 3.3236000000000017 | RDKit |
| 3.3236 | RDKit | |
| Molar Refractivity | 52.87600000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 152.062600256 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 = 152.20 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
