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10273-84-4 | 9,10-Anthracenedimethanol, 9,10-diacetate
CAS No: 10273-84-4 Catalog No: AG00088F MDL No:
Product Description
Catalog Number:
AG00088F
Chemical Name:
9,10-Anthracenedimethanol, 9,10-diacetate
CAS Number:
10273-84-4
Molecular Formula:
C20H18O4
Molecular Weight:
322.3545
IUPAC Name:
[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate
InChI:
InChI=1S/C20H18O4/c1-13(21)23-11-19-15-7-3-5-9-17(15)20(12-24-14(2)22)18-10-6-4-8-16(18)19/h3-10H,11-12H2,1-2H3
InChI Key:
BVPQUFPFMVPKTA-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1c2ccccc2c(c2c1cccc2)COC(=O)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.36g/mol
Monoisotopic Mass:
322.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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