trans-Benzo(a)pyrene-9,10-dihydrodiol

(9R,10R)-9,10-dihydrobenzo[a]pyrene-9,10-diol

CAS: 58886-98-9

Molecular Formula	`C20H14O2`
Molecular Weight	286.3 g/mol
LogP	3.9
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	286.09937
Heavy Atoms	22
Complexity	472.0

Chemical Identifiers

CAS Number	58886-98-9
SMILES	`C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C=C5)O)O)C=C2`
InChIKey	`GHARBPKRUUKTCI-UZLBHIALSA-N`

📖 Product Overview

trans-Benzo(a)pyrene-9,10-dihydrodiol (CAS: 58886-98-9) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.3 g/mol. Its IUPAC systematic name is (9R,10R)-9,10-dihydrobenzo[a]pyrene-9,10-diol. LogP 3.9 Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 286.09937 Heavy Atoms 22 Complexity 472.0 InChI Key: GHARBPKRUUKTCI-UZLBHIALSA-N. SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C=C5)O)O)C=C2.

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