Hydrogenated bisphenol A

CAT: 0024-sc-353624BSize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-353624BSize:25 g

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CAS Number

80-04-6

Chemical Information

Hydrogenated bisphenol a

CAS Number	80-04-6
PubChem CID	94932
IUPAC Name	4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
Molecular Formula	C15H28O2
Molecular Weight	240.38
XLogP	3.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	209

SMILES

CC(C)(C1CCC(CC1)O)C2CCC(CC2)O

InChI

InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3

InChIKey

CDBAMNGURPMUTG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80-04-6

CID: 94932

Formula: C15H28O2

MW: 240.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.38
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	240.208930132
Monoisotopic Mass	240.208930132
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	209
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

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