CAS: 94-02-0
名称: ethyl 3-oxo-3-phenylpropanoate
SMILES:
CCOC(=O)CC(=O)C1=CC=CC=C1Molecular Processing
Molecular formula
C11H12O3
Molecular weight
192.21
Exact mass
192.0786
XLogP
1.82
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
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
0.273
Molar refractivity
52.02
Supplementary Information
InChIKey: GKKZMYDNDDMXSE-UHFFFAOYSA-N
同義語
ETHYL BENZOYLACETATE94-02-0Ethyl benzoyl acetateBenzoylacetic acid ethyl esterAcetic acid, benzoyl-, ethyl esterBenzenepropanoic acid, beta-oxo-, ethyl esterFEMA No. 2423DTXSID4047094K8CHJ4MKM0NSC-6774NSC-227214DTXCID2027094RefChem:1085027202-295-3Ethyl 3-oxo-3-phenylpropanoateEthyl beta-oxobenzenepropanoateBenzoylacetic acid, ethyl esterEthyl 3-oxo-3-phenylpropionateEthyl 3-phenyl-3-oxopropanoateMFCD000091961-Ethoxy-3-phenylpropane-1,3-dioneethyl 3-oxo-3-phenyl-propanoateBenzenepropanoic acid, .beta.-oxo-, ethyl ester3-oxo-3-phenyl-propionic acid ethyl esterCHEMBL3182719ethylbenzoylacetate3-oxo-3-phenylpropionic acid ethyl ester3-OXO,3-PHENYL-PROPANOIC ACID,ETHYL ESTERethyl 2-benzoylacetateEINECS 202-295-3
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