Home Other Building Blocks 2-(4-cyano-5-methyl-1,2-oxazol-3-yl)acetic acid

2-(4-cyano-5-methyl-1,2-oxazol-3-yl)acetic acid

CAS No.:
93276-75-6
Catalog Number:
AG01A3HI
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
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Product Description
Catalog Number:
AG01A3HI
Chemical Name:
2-(4-cyano-5-methyl-1,2-oxazol-3-yl)acetic acid
CAS Number:
93276-75-6
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
MDL Number:
MFCD18818530
IUPAC Name:
2-(4-cyano-5-methyl-1,2-oxazol-3-yl)acetic acid
InChI:
InChI=1S/C7H6N2O3/c1-4-5(3-8)6(9-12-4)2-7(10)11/h2H2,1H3,(H,10,11)
InChI Key:
OFAJKJYAXWKZSZ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1C#N)CC(=O)O
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties