2-Benzoylpyridine 99% Extrapure

CAT: 1507-0391C 00100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1507-0391C 00100Size:100 mg

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CAS Number

91-02-1

HSN Code

29333990

Chemical Information

2-Benzoylpyridine

CAS Number	91-02-1
PubChem CID	7038
IUPAC Name	phenyl(pyridin-2-yl)methanone
Molecular Formula	C12H9NO
Molecular Weight	183.21
XLogP	1.9
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=N2

InChI

InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H

InChIKey

GCSHUYKULREZSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-02-1

CID: 7038

Formula: C12H9NO

MW: 183.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.21
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	183.068413911
Monoisotopic Mass	183.068413911
Topological Polar Surface Area	30 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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

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