CCOC(=O)CC(=O)CC1=CC=CC=C1C
CAS: 63968-26-3
الاسم: ethyl 4-(2-methylphenyl)-3-oxobutanoate
SMILES: CCOC(=O)CC(=O)CC1=CC=CC=C1C

Molecular Processing

Molecular formula
C13H16O3
Molecular weight
220.27
Exact mass
220.1099
XLogP
2.06
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
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
0.385
Molar refractivity
61.14

Supplementary Information

InChIKey: LSNACRPTDXLMJD-UHFFFAOYSA-N
مرادفات
63968-26-3ethyl 4-(2-methylphenyl)-3-oxobutanoate3-Oxo-4-o-tolyl-butyric acid ethyl esterMFCD08457096SCHEMBL8402588SCHEMBL31751033DTXSID30612438LSNACRPTDXLMJD-UHFFFAOYSA-Nethyl 4-(o-tolyl)-3-oxo-butanoate3-Oxo-4-o-tolyl-butyricacidethylesterAKOS010970403ETHYL 3-OXO-4-O-TOLYLBUTANOATEDB-334164F043325
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