3-(3-Methoxycarbonylcyclohexa-1,5-dien-1-yl)benzoic acid
3-(3-methoxycarbonylcyclohexa-1,5-dien-1-yl)benzoic acid
Molecular Identity
3-(3-Methoxycarbonylcyclohexa-1,5-dien-1-yl)benzoic acid
3-(3-methoxycarbonylcyclohexa-1,5-dien-1-yl)benzoic acid
PubChem CID: 131955096
2D Structure
Properties
C15H13O4-
Molecular Formula
257.26
Molecular Weight
g/mol
257.0814
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
63.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
422
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C1[CH-]C=CC(=C1)C2=CC(=CC=C2)C(=O)OIsomeric SMILES
SMILES: COC(=O)C1[CH-]C=CC(=C1)C2=CC(=CC=C2)C(=O)OSynonyms(1)
EFX
Data from PubChem (NCBI)
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Molecular Structure
3-(3-Methoxycarbonylcyclohexa-1,5-dien-1-yl)benzoic acid
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Drug Network
Trials and conditions connected to 3-(3-Methoxycarbonylcyclohexa-1,5-dien-1-yl)benzoic acid
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