(7S,8S,9S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol

CAS: 61176-59-8

Molecular Formula	`C20H16O3`
Molecular Weight	304.3 g/mol
LogP	3.0
Topological Polar Surface Area	60.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	304.10995
Heavy Atoms	23
Complexity	466.0

Chemical Identifiers

CAS Number	61176-59-8
SMILES	`C1C(C(C(C2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)O)O)O`
InChIKey	`GFANZDFKCCJYRF-VDGAXYAQSA-N`

📖 Product Overview

(7S,8S,9S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol (CAS: 61176-59-8) is a chemical compound with molecular formula C20H16O3 and molecular weight 304.3 g/mol. Its IUPAC systematic name is (7S,8S,9S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol. LogP 3.0 Topological Polar Surface Area 60.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 0 Exact Mass 304.10995 Heavy Atoms 23 Complexity 466.0 InChI Key: GFANZDFKCCJYRF-VDGAXYAQSA-N. SMILES: C1C(C(C(C2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)O)O)O.

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