Bisphenol C

CAT: 1299-RG-A261563-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261563-02Size:25 mg

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CAS Number

79-97-0

Synonyms

4,4'- (propane-2,2-diyl) bis (2-methylphenol)

Molecular Formula

C17H20O2

Molecular Weight

256.35

Product Name Synonym

4,4'- (propane-2,2-diyl) bis (2-methylphenol)

Chemical Information

Bisphenol C

3,3'-Dimethylbisphenol A is a bisphenol.

CAS Number	79-97-0
PubChem CID	6620
IUPAC Name	4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
Molecular Formula	C17H20O2
Molecular Weight	256.34
XLogP	4.7
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	272

SMILES

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O

InChI

InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3

InChIKey

YMTYZTXUZLQUSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79-97-0

CID: 6620

Formula: C17H20O2

MW: 256.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.34
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	256.146329876
Monoisotopic Mass	256.146329876
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	272
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
T5623-01	Bisphenol A
HY-18260S2-01	Bisphenol A-13C12