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88598-08-7 | 1,2,5-Oxadiazole-3-carboxylic acid
CAS No: 88598-08-7 Catalog No: AG004AZI MDL No:MFCD00604386
Product Description
Catalog Number:
AG004AZI
Chemical Name:
1,2,5-Oxadiazole-3-carboxylic acid
CAS Number:
88598-08-7
Molecular Formula:
C3H2N2O3
Molecular Weight:
114.0596
MDL Number:
MFCD00604386
IUPAC Name:
1,2,5-oxadiazole-3-carboxylic acid
InChI:
InChI=1S/C3H2N2O3/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
InChI Key:
JBLHCUQCDKBPGY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnon1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.007g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.06g/mol
Monoisotopic Mass:
114.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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