Home Carboxys 5-Isoxazolecarboxylic acid, 4-methyl-

5-Isoxazolecarboxylic acid, 4-methyl-

CAS No.:
261350-46-3
Catalog Number:
AG002RSX
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
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Product Description
Catalog Number:
AG002RSX
Chemical Name:
5-Isoxazolecarboxylic acid, 4-methyl-
CAS Number:
261350-46-3
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD08235209
IUPAC Name:
4-methyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C5H5NO3/c1-3-2-6-9-4(3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:
RITPLLYUVXGBFT-UHFFFAOYSA-N
SMILES:
Cc1cnoc1C(=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