CROTONIC ACID Next Previous

ChEMBL ID CHEMBL1213528
PubChem CID 637090
DrugBank Accession Number DB02074
ClinicalTrials CROTONIC ACID
Molecular Formula C4H6O2
Inchikey LDHQCZJRKDOVOX-NSCUHMNNSA-N

Smiles
C\C=C\C(=O)O

Synonyms
CROTONIC ACID, but-2-enoic acid, (E)-but-2-enoic acid, 107-93-7, trans-2-Butenoic acid, 3724-65-0, 3-Methylacrylic acid, trans-Crotonic acid, 2-Butenoic acid, (E)-2-Butenoic acid, (2E)-but-2-enoic acid, BUTENOIC ACID, beta-Methylacrylic acid, alpha-Butenoic acid, alpha-Crotonic acid, Solid crotonic acid, (E)-Crotonic acid, beta-Methacrylic acid, Crotonic acid, (E)-, Kyselina krotonova, Crotonicacid, Acrylic acid, 3-methyl-, 2-Butenoic acid, (E)-, 2E-butenoic acid, 2-Butenoate, (2E)-2-Butenoic acid, UNII-YW5WZZ4O5Q, Kyselina krotonova [Czech], NSC 206946, 2-butenoic acid, (2E)-, CHEBI:41131, HSDB 2814, NSC8751, LDHQCZJRKDOVOX-NSCUHMNNSA-N, NSC 8751, EINECS 203-533-9, EINECS 223-077-4, alpha-butenoate, MFCD00002701, UN2823, BRN 1098434, BRN 1719943, AK109438, trans-2-butenoate, AI3-06287, b-methylacrylic acid, Crotonic acid, solid [UN2823] [Corrosive], (2E)-2-butenoate, Q-101243, C4:1n-2, CH3CH=CHCOOH, CHEBI:17217, Crotonsaeure, Butenoate, a-butenoate, a-butenoic acid, a-crotonic acid, acide crotonique, 2-butenic acid, transcrotonic acid, Trans-crotonicacid, UN 2823, Crotonic acid, solid, Crotonic acid, liquid, E-but-2-enoic acid, 3-methyl-Acrylic acid, AC1LCTHA, YW5WZZ4O5Q, 113018_ALDRICH, CHEMBL1213528, InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2, 28010_FLUKA, HMDB10720, BB_NC-2305, ZINC901132, 2-Butenoic acid, (E)- (9CI), BB_NC-02305, NSC-8751, BBL027395, BDBM50427207, LMFA01030195, RB8002, STL146356, AKOS000119656, ACM3724650, ACM3824650, DB02074, FCH2251301, FCH4510495, RL00335, RL03422, NCGC00249105-01, AJ-24338, AK-41668, AN-20947, AN-42841, BBV-60752034, BC206359, BR-41668, KB-49131, LS-55550, LS-55551, OR034290, OR224080, OR264009, AB1002980, DB-029600, DB-029602, KB-209269, TR-001884, FT-0624102, FT-0654375, ST24024688, ST24026349, Crotonic acid, liquid [UN2823] [Corrosive], C01771, Crotonic acid, liquid [UN2823] [Corrosive], S-5685, 31578-EP2308858A1, 31578-EP2311816A1, 31578-EP2311817A1, 4-02-00-01498 (Beilstein Handbook Reference), I04-0308, S04-0170, F2191-0211, 15105-17-6, Crotonate, Crotonic Acid

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species ACID
Molecular Properties
Molecular Weight 86.09
Rotatable Bonds 1
Acidic pKa (ACD) 4.8
Basic pKa (ACD) -
LogP (ACD) 0.66
LogD (ACD) -1.91
ALogP 0.9
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