CAS: 614-27-7
Name: methyl 3-oxo-3-phenylpropanoate
SMILES:
COC(=O)CC(=O)c1ccccc1Molecular Processing
Molecular formula
C10H10O3
Molecular weight
178.19
Exact mass
178.063
XLogP
1.43
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
47.41
Supplementary Information
InChIKey: WRGLZAJBHUOPFO-UHFFFAOYSA-N
Synonyme
methyl 3-oxo-3-phenylpropanoate614-27-7Methyl benzoylacetatemethylbenzoylacetateMFCD00957180methyl 3-oxo-3-phenyl-propanoateNSC-4077643-oxo-3-phenyl-propionic acid methyl esterAcetic acid, benzoyl-, methyl ester3-Oxo-3-phenylpropionic acid methyl esterbenzenepropanoic acid, beta-oxo-, methyl esterBenzenepropanoic acid, .beta.-oxo-, methyl esterSCHEMBL275775METHYL 2-BENZOYLACETATEmethyl beta-oxobenzenepropanoateMethyl3-oxo-3-phenylpropionateSCHEMBL10544461DTXSID00976958Methyl 3-oxo-3-phenyl-propionateNSC407764AKOS005259847AS-19206BL009552DA-32660METHYL .BETA.-OXOBENZENEPROPANOATESY033453CS-0019251Methyl 3-oxo-3-phenylpropanoate, AldrichCPRNS00042084EN300-1126783
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