chempirical

Methyl 2-phenylacetoacetate

C11H12O3CAS 16648-44-5192.21 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C11H12O3
Molar mass
192.21 g/mol
Exact mass
192.0786 Da
logP
1.53Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
16648-44-5
SMILES
CC(=O)C(C1=CC=CC=C1)C(=O)OC
InChIKey
CYSACHQWYQYLIG-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-8(12)10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3

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Names and synonyms

1 names
  • Mapa

Work with Methyl 2-phenylacetoacetate

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

Methyl α-phenylbenzeneacetate3469-00-961 % similar (±)-Methyl mandelate4358-87-656 % similar D-Phenylglycine methyl ester hydrochloride19883-41-155 % similar Methyl formylphenylacetate5894-79-153 % similar Phenylacetylcarbinol1798-60-351 % similar Methyl 2-acetyl-3-oxobutanoate4619-66-348 % similar Methyl 2-chloroacetoacetate4755-81-144 % similar Methyl (αS)-α-hydroxybenzenepropanoate13673-95-544 % similar

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

Same formula

Dehydrozingerone1080-12-2 Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9 4-(4-Methylphenyl)-4-oxobutanoic acid4619-20-9

Elsewhere

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