Bisphenol F-13C6

CAT: 0127-OR1076461Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1076461Size:1 Each

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CAS Number

1410794-06-7

Purity

98%

Smiles

O[13C]1=[13CH][13CH]=[13C](CC2=CC=C(O)C=C2)[13CH]=[13CH]1

Chemical Information

Bisphenol F-13C6

CAS Number	1410794-06-7
PubChem CID	145875067
IUPAC Name	4-[(4-hydroxyphenyl)methyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
Molecular Formula	C13H12O2
Molecular Weight	206.19
XLogP	2.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	157

SMILES

C1=CC(=CC=C1C[13C]2=[13CH][13CH]=[13C]([13CH]=[13CH]2)O)O

InChI

InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2/i1+1,2+1,5+1,6+1,10+1,12+1

InChIKey

PXKLMJQFEQBVLD-UTHCEYBASA-N

Chemical Structure

2D Structure

CAS: 1410794-06-7

CID: 145875067

Formula: C13H12O2

MW: 206.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.19
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	206.10385863
Monoisotopic Mass	206.10385863
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	157
Isotope Atom Count	6
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
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BUP16647-01	Bisphenol A
OR1012467-01	Bisphenol E
BUP19096	Bisphenol B
DE2151	Bisphenol A-D16
OR1024486-01	Ethoxylated Bisphenol A
OR1028350-01	Bisphenol A Ethoxylate Dimethacrylate
OR1012466-01	Bisphenol A Dimethyl Acrylate
OR1039846-01	2,4'-Bisphenol A
OR936842-01	Bisphenol A diglycidyl ether