C1=CC=C(C=C1)C2=C(N=CO2)C(=O)O
CAS: 99924-18-2
Name: 5-phenyl-1,3-oxazole-4-carboxylic acid
SMILES: C1=CC=C(C=C1)C2=C(N=CO2)C(=O)O

Molecular Processing

Molecular formula
C10H7NO3
Molecular weight
189.17
Exact mass
189.0426
XLogP
2.04
TPSA
63.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
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
48.9

Supplementary Information

InChIKey: RUKDIKJSGDVSIF-UHFFFAOYSA-N
Synonyms
99924-18-25-phenyl-1,3-oxazole-4-carboxylic acidDTXSID20379967RefChem:304606DTXCID80330993680-489-05-phenyloxazole-4-carboxylic acid4-Oxazolecarboxylic acid, 5-phenyl-MFCD001054475-phenyl-4-oxazolecarboxylic acid5-Phenyl-oxazole-4-carboxylic acidSDCCGMLS-0065951.P001SCHEMBL287658CHEMBL323921SCHEMBL278820235-phenyloxazole-4-carboxylicacidRUKDIKJSGDVSIF-UHFFFAOYSA-NALBB-019232SBB067330AKOS000123277PS-42705-phenyl-1,3-oxazol-4-ylcarboxylic acidAC-26508BP-10662SY015422ST51079111EN300-75028F044393Z363989738BUTTPARK 153\57-35;5-PHENYL-OXAZOLE-4-CARBOXYLIC ACID;5-PHENYL-1,3-OXAZOLE-4-CARBOXYLIC ACID;5-Phenyl-1,3-oxazole-4-carboxylic acid ,97%
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