Home Carboxys 5-Oxazolecarboxylic acid, 4-phenyl-

5-Oxazolecarboxylic acid, 4-phenyl-

CAS No.:
1240599-64-7
Catalog Number:
AG000LIA
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
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Product Description
Catalog Number:
AG000LIA
Chemical Name:
5-Oxazolecarboxylic acid, 4-phenyl-
CAS Number:
1240599-64-7
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD16990195
IUPAC Name:
4-phenyl-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)9-8(11-6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:
FMAQWBASBDYDPJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ocnc1c1ccccc1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties