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13728-81-9 | Benz[j]aceanthrylene, 1,2-dihydro-2-methyl-
CAS No: 13728-81-9 Catalog No: AG001322 MDL No:
Product Description
Catalog Number:
AG001322
Chemical Name:
Benz[j]aceanthrylene, 1,2-dihydro-2-methyl-
CAS Number:
13728-81-9
Molecular Formula:
C21H16
Molecular Weight:
268.3517
IUPAC Name:
2-methyl-1,2-dihydrobenzo[j]aceanthrylene
InChI:
InChI=1S/C21H16/c1-13-11-20-18-10-9-14-5-2-3-7-17(14)19(18)12-15-6-4-8-16(13)21(15)20/h2-10,12-13H,11H2,1H3
InChI Key:
RTBXOFMHEMBXKG-UHFFFAOYSA-N
SMILES:
CC1Cc2c3c1cccc3cc1c2ccc2c1cccc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.359g/mol
Monoisotopic Mass:
268.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| Comparative study on glutathione transferases of rat brain and testis under the stress of phenobarbitol and beta-methylcholanthrene. | Journal of Zhejiang University. Science. B 20050801 |
| A comparative study on the effect of phenobarbitol and beta-methylcholanthrene on glutathione S-transferases of rat testis. | Journal of biochemistry, molecular biology, and biophysics : JBMBB : the official journal of the Federation of Asian and Oceanian Biochemists and Molecular Biologists (FAOBMB) 20021201 |
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