200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 178738-54-0
178738-54-0 | Benzo[g]chrysene-11,12-diol, 11,12-dihydro-
CAS No: 178738-54-0 Catalog No: AG00269H MDL No:
Product Description
Catalog Number:
AG00269H
Chemical Name:
Benzo[g]chrysene-11,12-diol, 11,12-dihydro-
CAS Number:
178738-54-0
Molecular Formula:
C22H16O2
Molecular Weight:
312.3612
IUPAC Name:
pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,21-decaene-18,19-diol
InChI:
InChI=1S/C22H16O2/c23-20-12-11-18-19(22(20)24)10-9-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)21(17)18/h1-12,20,22-24H
InChI Key:
SDYNFQRWECLVDP-UHFFFAOYSA-N
SMILES:
OC1C(O)C=Cc2c1ccc1c2c2ccccc2c2c1cccc2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.368g/mol
Monoisotopic Mass:
312.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Fjord-region benzo[g]chrysene-11,12-dihydrodiol and benzo[c]phenanthrene-3,4-dihydrodiol as substrates for rat liver dihydrodiol dehydrogenase (AKR1C9): structural basis for stereochemical preference. | Chemical research in toxicology 20080301 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.