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1216012-87-1 | 5-Oxazolecarboxylic acid, 2-methyl-
CAS No: 1216012-87-1 Catalog No: AG0015DI MDL No:MFCD12403806
Product Description
Catalog Number:
AG0015DI
Chemical Name:
5-Oxazolecarboxylic acid, 2-methyl-
CAS Number:
1216012-87-1
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD12403806
IUPAC Name:
2-methyl-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C5H5NO3/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:
MARKCZHBQSQUHU-UHFFFAOYSA-N
SMILES:
Cc1ncc(o1)C(=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
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