chempirical

Phenylsuccinic anhydride

C10H8O3CAS 1131-15-3176.17 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C10H8O3
Molar mass
176.17 g/mol
Exact mass
176.0473 Da
logP
1.24Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1131-15-3
SMILES
C1C(C(=O)OC1=O)C2=CC=CC=C2
InChIKey
HDFKMLFDDYWABF-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-5,8H,6H2

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Work with Phenylsuccinic 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

1,2,3,4-Butanetetracarboxylic dianhydride4534-73-045 % similar γ-Phenyl-γ-butyrolactone1008-76-043 % similar Methyl α-phenylbenzeneacetate3469-00-942 % similar Methylsuccinic anhydride4100-80-541 % similar (+)-Phenylsuccinic acid4036-30-041 % similar 1-Phenylethyl propionate120-45-640 % similar Ethyl α-chlorobenzeneacetate4773-33-540 % similar 2-Phenylcyclohexanone1444-65-139 % similar

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

Same formula

2-Formylcinnamic acid130036-17-8 4-Hydroxy-6-methylcoumarin13252-83-0 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 6-Hydroxy-4-methylcoumarin2373-31-1 3-Oxo-1-indancarboxylic acid29427-69-8 Herniarin531-59-9 4-Oxo-4-phenyl-2-butenoic acid583-06-2 4-Methylumbelliferone90-33-5

Elsewhere

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