CC(C)CC(=O)OC(=O)Cl
名称: carbonochloridoyl 3-methylbutanoate
SMILES: CC(C)CC(=O)OC(=O)Cl

Molecular Processing

Molecular formula
C6H9ClO3
Molecular weight
164.59
Exact mass
164.024
XLogP
1.93
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
36.8

Supplementary Information

InChIKey: QQMJHRRTHHLXCC-UHFFFAOYSA-N
同義語
isovalerylchloroformateSCHEMBL183764QQMJHRRTHHLXCC-UHFFFAOYSA-N
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