6-Butylchrysene

CAT: 0024-sc-504545Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-504545Size:5 mg

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CAS Number

6901-71-9

Chemical Information

6-Butylchrysene

CAS Number	6901-71-9
PubChem CID	90473999
IUPAC Name	6-butylchrysene
Molecular Formula	C22H20
Molecular Weight	284.4
XLogP	7.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	359

SMILES

CCCCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41

InChI

InChI=1S/C22H20/c1-2-3-8-17-15-22-18-10-5-4-9-16(18)13-14-21(22)20-12-7-6-11-19(17)20/h4-7,9-15H,2-3,8H2,1H3

InChIKey

XJQKMLMKECCWEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6901-71-9

CID: 90473999

Formula: C22H20

MW: 284.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.4
XLogP3	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	284.156500638
Monoisotopic Mass	284.156500638
Topological Polar Surface Area	0 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	359
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

Catalog	Name
438251-01	6-Butylchrysene
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