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24672-76-2 | Anthracene, 9,10-bis(4-methoxyphenyl)-
CAS No: 24672-76-2 Catalog No: AG002P0Q MDL No:MFCD00009936
Product Description
Catalog Number:
AG002P0Q
Chemical Name:
Anthracene, 9,10-bis(4-methoxyphenyl)-
CAS Number:
24672-76-2
Molecular Formula:
C28H22O2
Molecular Weight:
390.4731
MDL Number:
MFCD00009936
IUPAC Name:
9,10-bis(4-methoxyphenyl)anthracene
InChI:
InChI=1S/C28H22O2/c1-29-21-15-11-19(12-16-21)27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)20-13-17-22(30-2)18-14-20/h3-18H,1-2H3
InChI Key:
KTYCXBAOXVVIMM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c2ccccc2c(c2c1cccc2)c1ccc(cc1)OC
UNII:
VLS3CT1D5Z
NSC Number:
652541
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.482g/mol
Monoisotopic Mass:
390.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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