Back to Search
Anthracene
CAS: 120-12-7 | C14H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-12-7
Molecular Formula:
C14H10
Molecular Mass:
178.23 g/mol
Names and Synonyms:
Anthracene
Anthracene
Anthracin
Green Oil
Paranaphthalene
Tetra Olive N2G
NSC 7958
A 0495
Identifiers:
SMILES:
c1ccc2cc3ccccc3cc2c1
InChI:
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Key Properties
Boiling Point
342 °C
CAS Common Chemistry
Melting Point
218 °C
CAS Common Chemistry
Density
1.25 g/cm³
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 | 178.23 g/mol | CAS Common Chemistry |
| 178.23399999999995 g/mol | RDKit | |
| 178.07825032 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.25 g/cm3 @ Temp: 27 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Anthracene | CAS Common Chemistry |
| Boiling Point | 342 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C3C=CC=CC3=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=MWPLVEDNUUSJAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 218 °C | CAS Common Chemistry |
| Name | Anthracene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.993000000000002 | RDKit |
| Molar Refractivity | 61.45400000000003 | RDKit |
