AC1OAKIX

3-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Also Known As: CBMicro_004179|3-[(4E)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID|3-[(4E)-4-(3-ethoxy-4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid|3-[4-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid|3-[4-[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid|3-[4-[(Z)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid|3-{4-[(E)-(3-Ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl}benzoic acid|3-{4-[(E)-1-(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL}BENZOIC ACID

Molecular Formula	C20H18N2O5
Molecular Weight	366.12158 g/mol
LogP	3.2952
Topological Polar Surface Area	99.43 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	366.12158
Monoisotopic Mass	366.12158
Heavy Atoms	27
Complexity	978.0874

Chemical Identifiers

CAS Number	6040-84-2
SMILES	CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)O