Home Carboxys 4-Methylisoxazole-3-carboxylic acid

4-Methylisoxazole-3-carboxylic acid

CAS No.:
215872-46-1
Catalog Number:
AG007PWF
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
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Product Description
Catalog Number:
AG007PWF
Chemical Name:
4-Methylisoxazole-3-carboxylic acid
CAS Number:
215872-46-1
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD11870845
IUPAC Name:
4-methyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C5H5NO3/c1-3-2-9-6-4(3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:
OFLBJRPOLLXDSC-UHFFFAOYSA-N
SMILES:
Cc1conc1C(=O)O
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties