COC1=CC=C(C=C1)CC(CC(=O)O)CC(=O)O
名称: 3-[(4-methoxyphenyl)methyl]pentanedioic acid
SMILES: COC1=CC=C(C=C1)CC(CC(=O)O)CC(=O)O

Molecular Processing

Molecular formula
C13H16O5
Molecular weight
252.27
Exact mass
252.0998
XLogP
1.8
TPSA
83.83
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
64.69

Supplementary Information

InChIKey: FCOTUTZZWMCHKK-UHFFFAOYSA-N
同義語
SCHEMBL11221835FCOTUTZZWMCHKK-UHFFFAOYSA-N3-[(4-methoxyphenyl)methyl]glutaric acid
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