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192703-61-0 | 1,2-Chrysenediol, 5-methyl-
CAS No: 192703-61-0 Catalog No: AG002G8H MDL No:
Product Description
Catalog Number:
AG002G8H
Chemical Name:
1,2-Chrysenediol, 5-methyl-
CAS Number:
192703-61-0
Molecular Formula:
C19H14O2
Molecular Weight:
274.3133
IUPAC Name:
5-methylchrysene-1,2-diol
InChI:
InChI=1S/C19H14O2/c1-11-10-12-4-2-3-5-13(12)14-6-7-16-15(18(11)14)8-9-17(20)19(16)21/h2-10,20-21H,1H3
InChI Key:
HWSXRBHBDLAFCA-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1O)ccc1c2c(C)cc2c1cccc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.319g/mol
Monoisotopic Mass:
274.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| Characterization of UDP-glucuronosyltransferase 2A1 (UGT2A1) variants and their potential role in tobacco carcinogenesis. | Pharmacogenetics and genomics 20110201 |
| Inhibition of human cytochrome P450 1A1-, 1A2-, and 1B1-mediated activation of procarcinogens to genotoxic metabolites by polycyclic aromatic hydrocarbons. | Chemical research in toxicology 20060201 |
| Metabolic activation of polycyclic aromatic hydrocarbons and other procarcinogens by cytochromes P450 1A1 and P450 1B1 allelic variants and other human cytochromes P450 in Salmonella typhimurium NM2009. | Drug metabolism and disposition: the biological fate of chemicals 20010901 |
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