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4,4- Dihydroxy Benzophenone for Synthesis

CAT: 0459-073165-01Size: 25 gDry Ice: NoHazardous: No
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CAS Number
611-99-4

Chemical Information

4,4'-Dihydroxybenzophenone

4,4'-Dihydroxybenzophenone is a member of benzophenones.

CAS Number611-99-4
PubChem CID69150
IUPAC Namebis(4-hydroxyphenyl)methanone
Molecular FormulaC13H10O3
Molecular Weight214.22
XLogP2.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity212
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
InChIKey
RXNYJUSEXLAVNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dihydroxybenzophenone
CAS: 611-99-4
CID: 69150
Formula: C13H10O3
MW: 214.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.22
XLogP32.7
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
Complexity212
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