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1167056-75-8 | 4-Oxazolecarboxylic acid, 2-cyano-
CAS No: 1167056-75-8 Catalog No: AG000D3M MDL No:
Product Description
Catalog Number:
AG000D3M
Chemical Name:
4-Oxazolecarboxylic acid, 2-cyano-
CAS Number:
1167056-75-8
Molecular Formula:
C5H2N2O3
Molecular Weight:
138.0810
IUPAC Name:
2-cyano-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C5H2N2O3/c6-1-4-7-3(2-10-4)5(8)9/h2H,(H,8,9)
InChI Key:
RQPSVFCMIPHUJR-UHFFFAOYSA-N
SMILES:
N#Cc1occ(n1)C(=O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.007g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.082g/mol
Monoisotopic Mass:
138.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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