Benzo[a]pyrene 100mg

CAT: 0628-A13158-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A13158-100Size:100 mg

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CAS Number

50-32-8

Chemical Information

Benzo[a]pyrene

Benzo[a]pyrene can cause cancer according to an independent committee of scientific and health experts.

CAS Number	50-32-8
PubChem CID	2336
IUPAC Name	benzo[a]pyrene
Molecular Formula	C20H12
Molecular Weight	252.3
XLogP	6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	372

SMILES

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3

InChI

InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H

InChIKey

FMMWHPNWAFZXNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50-32-8

CID: 2336

Formula: C20H12

MW: 252.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.3
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	252.093900383
Monoisotopic Mass	252.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	372
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes