2-Phenylglutaric anhydride

CAT: 0926-CAA95996Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-CAA95996Size:5 g

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CAS Number

2959-96-8

MDL Number

MFCD00006681

Smiles

C1CC (=O) OC (=O) C1C2=CC=CC=C2

Molecular Formula

C11H10O3

Molecular Weight

190.19 g/mol

Controlled

Chemical Information

2-Phenylglutaric anhydride

structure in first source

CAS Number	2959-96-8
PubChem CID	96293
IUPAC Name	3-phenyloxane-2,6-dione
Molecular Formula	C11H10O3
Molecular Weight	190.19
XLogP	1.6
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	241

SMILES

C1CC(=O)OC(=O)C1C2=CC=CC=C2

InChI

InChI=1S/C11H10O3/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

NVPRNSAYSSEIGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2959-96-8

CID: 96293

Formula: C11H10O3

MW: 190.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.19
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	190.062994177
Monoisotopic Mass	190.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FE172314-01	2-Ethylhexanoic anhydride
FD42376-01	2,3-Dimethylmaleic anhydride
AAA71639	2,3-Naphthalic Anhydride
GAA81214	2,3-Anthracenedicarboxylic anhydride
FB70982	2,2'-Biphenyldicarboxylic acid anhydride - 70%
FC61021-01	(+) -trans-1,2-Cyclohexanedicarboxylic Anhydride
CKA18680-01	2,3-Dichlorobenzoic acid anhydride
FC61022-01	(-) -trans-1,2-Cyclohexanedicarboxylic Anhydride
FH35914	Heptanoic anhydride
FG14622-01	Glutaric anhydride

Catalog	Name
TRC-P327508-500MG	2-Phenylglutaric Anhydride(>80%)
15025222-25g	2,3-Pyridinedicarboxylic anhydride (Quinolinic anhydride)
283324-01	2-Methylbutanoic anhydride
OR1058842-01	2-Naphthoic anhydride
OR1004177	2-Oxopropanoic anhydride
sc-488199	2-Octenylsuccinic Anhydride
AR-T05533-01	2-Methylbenzoic Anhydride
RG-E140814-01	2-fluorobenzoic anhydride
TRC-S689188-10G	2-Sulfobenzoic Anhydride
TRC-B292005-1G	2-Benzylsuccinic Anhydride