Home Carboxys 5-benzyl-1,2-oxazole-3-carboxylic acid

5-benzyl-1,2-oxazole-3-carboxylic acid

CAS No.:
1621018-32-3
Catalog Number:
AG01BBMY
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
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Product Description
Catalog Number:
AG01BBMY
Chemical Name:
5-benzyl-1,2-oxazole-3-carboxylic acid
CAS Number:
1621018-32-3
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD24494759
IUPAC Name:
5-benzyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c13-11(14)10-7-9(15-12-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChI Key:
MQTGSIQQEKYWMR-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)Cc1ccccc1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties