COC(=O)/C(Cc1ccc(C(=O)O)cc1)=C(\C(=O)OC)C(C)C
名称: 2-(4-carboxybenzyl)-3-isopropylmaleic acid dimethyl ester
SMILES: COC(=O)/C(Cc1ccc(C(=O)O)cc1)=C(\C(=O)OC)C(C)C

Molecular Processing

Molecular formula
C17H20O6
Molecular weight
320.34
Exact mass
320.126
XLogP
2.23
TPSA
89.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
83

Supplementary Information

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