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Bisphenol A

CAT: 1299-RG-A260917-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260917-03Size:50 mg
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CAS Number
80-05-7
Synonyms
Bisphenol A
Molecular Formula
C15H16O2
Molecular Weight
228.29
Target Alternative Name
Bisphenol A
Product Name Synonym
Bisphenol A

Chemical Information

Bisphenol A

Bisphenol A (BPA) can cause developmental toxicity according to The National Toxicology Program's Center for the Evaluation of Risks to Human Reproduction. It can cause female reproductive toxicity according to an independent committee of scientific and health experts.

CAS Number80-05-7
PubChem CID6623
IUPAC Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Molecular FormulaC15H16O2
Molecular Weight228.29
XLogP3.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity209
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChIKey
IISBACLAFKSPIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bisphenol A
CAS: 80-05-7
CID: 6623
Formula: C15H16O2
MW: 228.29
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.29
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass228.115029749
Monoisotopic Mass228.115029749
Topological Polar Surface Area40.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T5623-01Bisphenol A
HY-18260S2-01Bisphenol A-13C12

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