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103879-58-9 | 5-Methyloxazole-4-carboxylic acid
CAS No: 103879-58-9 Catalog No: AG003MWE MDL No:MFCD08056309
Product Description
Catalog Number:
AG003MWE
Chemical Name:
5-Methyloxazole-4-carboxylic acid
CAS Number:
103879-58-9
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD08056309
IUPAC Name:
5-methyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C5H5NO3/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8)
InChI Key:
QIACATCUODRSLS-UHFFFAOYSA-N
SMILES:
Cc1ocnc1C(=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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