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2,4'-Dihydroxybenzophenone

CAT: 0127-BUP13650-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13650-02Size:50 mg
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CAS Number
606-12-2
Purity
=98%
Smiles
Oc1ccc(cc1)C(=O)c1ccccc1O

Chemical Information

2,4'-Dihydroxybenzophenone
CAS Number606-12-2
PubChem CID220295
IUPAC Name(2-hydroxyphenyl)-(4-hydroxyphenyl)methanone
Molecular FormulaC13H10O3
Molecular Weight214.22
XLogP3.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity244
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C13H10O3/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,14-15H
InChIKey
HUYKZYIAFUBPAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4'-Dihydroxybenzophenone
CAS: 606-12-2
CID: 220295
Formula: C13H10O3
MW: 214.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.22
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass214.062994177
Monoisotopic Mass214.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity244
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