trans-Benzo[a]pyrene-4,5-dihydrodiol

(4S,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol

CAS: 37571-88-3

Molecular Formula	`C20H14O2`
Molecular Weight	286.3 g/mol
LogP	3.7
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	435.0

Chemical Identifiers

CAS Number	37571-88-3
SMILES	`C1=CC=C2C3=C4C(=CC2=C1)C(C(C5=CC=CC(=C54)C=C3)O)O`
InChIKey	`OYOQHRXJXXTZII-PMACEKPBSA-N`

📖 Product Overview

trans-Benzo[a]pyrene-4,5-dihydrodiol (CAS: 37571-88-3) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.3 g/mol. Its IUPAC systematic name is (4S,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol. LogP 3.7 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 435.0 InChI Key: OYOQHRXJXXTZII-PMACEKPBSA-N. SMILES: C1=CC=C2C3=C4C(=CC2=C1)C(C(C5=CC=CC(=C54)C=C3)O)O.

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