C1=CC(=CC=C1C=C(C#N)C(=O)O)O
CAS: 28166-41-8
الاسم: 2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)O

Molecular Processing

Molecular formula
C10H7NO3
Molecular weight
189.17
Exact mass
189.0426
XLogP
1.38
TPSA
81.32
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
49.33

Supplementary Information

InChIKey: AFVLVVWMAFSXCK-UHFFFAOYSA-N
مرادفات
28166-41-8alpha-Cyano-4-hydroxycinnamate2-cyano-4-hydroxycinnamateNL5EEM9E2G4-hydroxy-alpha-cyanocinnamateACCADTXSID5010182952-Cyano-3-(4-hydroxyphenyl)acrylic acid2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acidNSC-173138CHEBI:64340RefChem:111141DTXCID701040402248-879-1Alpha-Cyano-4-Hydroxycinnamic Acida-Cyano-4-hydroxycinnamic acidalpha-CCANSC 173138MFCD00004204alpha-CHCASpectrum_0014992-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-2-Cyano-3-(4-hydroxyphenyl)-2-propenoic Acid; 4-Hydroxy-alpha-cyanocinnamic Acid; NSC 173138; alpha-Cyano-4-hydroxycinnamic Acid;CHCEINECS 248-879-1Spectrum2_001947Spectrum3_000730Spectrum4_000334UNII-NL5EEM9E2GSCHEMBL26826
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