Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7S-trans)-

(7S,8S)-7-methyl-8H-benzo[a]pyrene-7,8-diol

CAS: 86594-63-0

Molecular Formula	`C21H16O2`
Molecular Weight	300.3 g/mol
LogP	4.1
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	300.11502
Heavy Atoms	23
Complexity	514.0

Chemical Identifiers

CAS Number	86594-63-0
SMILES	`CC1(C(C=CC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O)O`
InChIKey	`FCKDZCPFYXNFLB-RXVVDRJESA-N`

📖 Product Overview

Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7S-trans)- (CAS: 86594-63-0) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.3 g/mol. Its IUPAC systematic name is (7S,8S)-7-methyl-8H-benzo[a]pyrene-7,8-diol. LogP 4.1 Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 300.11502 Heavy Atoms 23 Complexity 514.0 InChI Key: FCKDZCPFYXNFLB-RXVVDRJESA-N. SMILES: CC1(C(C=CC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O)O.

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