chempirical

Phenylmaleic anhydride

C10H6O3CAS 36122-35-7174.15 g/mol

Open in Covalent MOL file
OOO
Acid anhydrideAlkene

Properties

Molecular formula
C10H6O3
Molar mass
174.15 g/mol
Exact mass
174.0317 Da
Melting point
119–119.5 °C
Boiling point
122–125 °C (at 0.2 Torr)
logP
1.15Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
36122-35-7
SMILES
O=C1C=C(c2ccccc2)C(=O)O1
InChIKey
QZYCWJVSPFQUQC-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2,5-Furandione, 3-phenyl-
  • Maleic anhydride, phenyl-
  • 3-Phenyl-2,5-furandione
  • NSC 191772
  • 3-Phenylfuran-2,5-dione
  • 3-Phenyl-2,5-dihydrofuran-2,5-dione

Work with Phenylmaleic anhydride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Diphenyl-2,5-cyclohexadiene-1,4-dione844-51-948 % similar 3-Bromo-2,5-furandione5926-51-239 % similar 4-(Acryloyloxy)benzophenone22535-49-539 % similar Methyl phenylglyoxylate15206-55-039 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-138 % similar Benzoyl peroxide94-36-038 % similar trans-1,2-Dibenzoylethylene959-28-438 % similar trans-Chalcone614-47-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Formylchromone17422-74-1 Juglone481-39-0 Lawsone83-72-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook