Home Other Building Blocks 2-Oxazolepropanoic acid, 5-phenyl-

2-Oxazolepropanoic acid, 5-phenyl-

CAS No.:
23485-68-9
Catalog Number:
AG002NE0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
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Product Description
Catalog Number:
AG002NE0
Chemical Name:
2-Oxazolepropanoic acid, 5-phenyl-
CAS Number:
23485-68-9
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD00713291
IUPAC Name:
3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid
InChI:
InChI=1S/C12H11NO3/c14-12(15)7-6-11-13-8-10(16-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChI Key:
GFVIYHMHRMUSLA-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ncc(o1)c1ccccc1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties