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Anthrone
CAS: 90-44-8 | C14H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-44-8
Molecular Formula:
C14H10O
Molecular Mass:
194.23 g/mol
Names and Synonyms:
Anthrone
9(10H)-Anthracenone
Anthrone
Anthracene, 9,10-dihydro-9-oxo-
Carbothrone
9-Oxoanthracene
NSC 1965
Quino Power ATR
Identifiers:
SMILES:
O=C1c2ccccc2Cc2ccccc21
InChI:
InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
Key Properties
Boiling Point
375.2 °C
CAS Common Chemistry
Melting Point
155 °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 | 194.23 g/mol | CAS Common Chemistry |
| 194.233 g/mol | RDKit | |
| 194.07316494 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Anthrone | CAS Common Chemistry |
| Boiling Point | 375.2 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2CC=3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RJGDLRCDCYRQOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155 °C | CAS Common Chemistry |
| Name | Anthrone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.8218000000000005 | RDKit |
| Molar Refractivity | 59.122500000000024 | RDKit |
