Molecular Identity
4-Ethylbenzoic Acid
4-ethylbenzoic acid
PubChem CID: 12086
4-Ethylbenzoic acid is a member of benzoic acids.
2D Structure
Properties
C9H10O2
Molecular Formula
150.17
Molecular Weight
g/mol
150.0681
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
134
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=CC=C(C=C1)C(=O)OIsomeric SMILES
SMILES: CCC1=CC=C(C=C1)C(=O)OSynonyms(20)
4-ETHYLBENZOIC ACID619-64-7p-Ethylbenzoic acidBenzoic acid, 4-ethyl-9TKM8P0G6RNSC-59888DTXSID3073212RefChem:98893DTXCID1043178210-605-34-Ethyl Benzoic acidMFCD00002570NSC598884-Ethylbenzoic acid, 99%MLS000849800
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Ethylbenzoic Acid
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