C1CCC(CC1)(C(=O)C2=CC=C(C=C2)C(=O)CCC(=O)O)O
Название: 4-[4-(1-hydroxycyclohexanecarbonyl)phenyl]-4-oxobutanoic acid
SMILES: C1CCC(CC1)(C(=O)C2=CC=C(C=C2)C(=O)CCC(=O)O)O

Molecular Processing

Molecular formula
C17H20O5
Molecular weight
304.34
Exact mass
304.1311
XLogP
2.61
TPSA
91.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
80.01

Supplementary Information

InChIKey: KGYDQVXPVJRXED-UHFFFAOYSA-N
Синонимы
SCHEMBL7701375KGYDQVXPVJRXED-UHFFFAOYSA-N1-hydroxycyclohexyl 4-(2-carboxyethyl)carbonylphenyl ketone
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