CCCOC(=O)CCC=O
이름: propyl 4-oxobutanoate
SMILES: CCCOC(=O)CCC=O

Molecular Processing

Molecular formula
C7H12O3
Molecular weight
144.17
Exact mass
144.0786
XLogP
0.92
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
36.55

Supplementary Information

InChIKey: JLZOUIYSBSQWPN-UHFFFAOYSA-N
동의어
propyl 3-formylpropionateSCHEMBL6539863SCHEMBL6539866JLZOUIYSBSQWPN-UHFFFAOYSA-N
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