Benzophenone

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CAS Number

119-61-9

Synonyms

Diphenylmethanone

MDL Number

MFCD00003076

Purity

=95%

Smiles

O=C(c1ccccc1)c2ccccc2

Chemical Information

Benzophenone

Benzophenone can cause cancer according to California Labor Code.

CAS Number	119-61-9
PubChem CID	3102
IUPAC Name	diphenylmethanone
Molecular Formula	C13H10O
Molecular Weight	182.22
XLogP	3.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	165

SMILES

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

InChI

InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey

RWCCWEUUXYIKHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-61-9

CID: 3102

Formula: C13H10O

MW: 182.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.22
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	182.073164938
Monoisotopic Mass	182.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
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
CS-O-31144	Benzophenone
FB172322-01	Benzophenone oxime