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672948-03-7 | 2-Oxazolecarboxylic acid
CAS No: 672948-03-7 Catalog No: AG0035FX MDL No:MFCD04114935
Product Description
Catalog Number:
AG0035FX
Chemical Name:
2-Oxazolecarboxylic acid
CAS Number:
672948-03-7
Molecular Formula:
C4H3NO3
Molecular Weight:
113.0715
MDL Number:
MFCD04114935
IUPAC Name:
1,3-oxazole-2-carboxylic acid
InChI:
InChI=1S/C4H3NO3/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)
InChI Key:
CQHYICHMGNSGQH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncco1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.011g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.072g/mol
Monoisotopic Mass:
113.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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