Home Other Building Blocks 2-(dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid

2-(dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid

CAS No.:
1512316-93-6
Catalog Number:
AG01BHHG
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
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Product Description
Catalog Number:
AG01BHHG
Chemical Name:
2-(dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CAS Number:
1512316-93-6
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD26597430
IUPAC Name:
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C9H13NO3/c1-5-7(6(2)13-10-5)9(3,4)8(11)12/h1-4H3,(H,11,12)
InChI Key:
SMKLRTNSXAESAB-UHFFFAOYSA-N
SMILES:
Cc1onc(c1C(C(=O)O)(C)C)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties