Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn

(3R,4S,5R,7S)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol

CAS: 66212-60-0

Molecular Formula	`C20H14O3`
Molecular Weight	302.3 g/mol
LogP	2.9
Topological Polar Surface Area	53.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	302.0943
Heavy Atoms	23
Complexity	507.0

Chemical Identifiers

CAS Number	66212-60-0
SMILES	`C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C6C5O6)O)O)C=C2`
InChIKey	`VAHKPYXMVVSHGS-FUMNGEBKSA-N`

📖 Product Overview

Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn (CAS: 66212-60-0) is a chemical compound with molecular formula C20H14O3 and molecular weight 302.3 g/mol. Its IUPAC systematic name is (3R,4S,5R,7S)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol. LogP 2.9 Topological Polar Surface Area 53.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 0 Exact Mass 302.0943 Heavy Atoms 23 Complexity 507.0 InChI Key: VAHKPYXMVVSHGS-FUMNGEBKSA-N. SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C6C5O6)O)O)C=C2.

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