COC(=O)C1(CCOCC1)CC(=O)Cl
名称: methyl 4-(2-chloro-2-oxoethyl)oxane-4-carboxylate
SMILES: COC(=O)C1(CCOCC1)CC(=O)Cl

Molecular Processing

Molecular formula
C9H13ClO4
Molecular weight
220.65
Exact mass
220.0502
XLogP
1.11
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
49.98

Supplementary Information

InChIKey: UNBHFTHUGGFEEF-UHFFFAOYSA-N
同義語
SCHEMBL1748165UNBHFTHUGGFEEF-UHFFFAOYSA-Nmethyl 4-(2-chloro-2-oxoethyl)tetrahydro-2H-pyran-4-carboxylate
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