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Structure

2,3,4-Trihydroxydiphenylmethane

CAS
17345-66-3
Catalog Number
ACM17345663
Category
Other Products
Molecular Weight
216.24
Molecular Formula
C13H12O3

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Specification

Synonyms
4-Benzylpyrogallol
IUPAC Name
4-benzylbenzene-1,2,3-triol
Canonical SMILES
C1=CC=C(C=C1)CC2=C(C(=C(C=C2)O)O)O
InChI
InChI=1S/C13H12O3/c14-11-7-6-10(12(15)13(11)16)8-9-4-2-1-3-5-9/h1-7,14-16H,8H2
InChI Key
UJWRVYWLRMVCIR-UHFFFAOYSA-N
Complexity
213
Covalently-Bonded Unit Count
1
Exact Mass
216.078644g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
3
Heavy Atom Count
16
Monoisotopic Mass
216.078644g/mol
Rotatable Bond Count
2
XLogP3
2.8
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