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159014-11-6 | 1,2,5-Oxadiazole-3-carboxylic acid, 4-nitro-
CAS No: 159014-11-6 Catalog No: AG001QF8 MDL No:MFCD18804649
Product Description
Catalog Number:
AG001QF8
Chemical Name:
1,2,5-Oxadiazole-3-carboxylic acid, 4-nitro-
CAS Number:
159014-11-6
Molecular Formula:
C3HN3O5
Molecular Weight:
159.0571
MDL Number:
MFCD18804649
IUPAC Name:
4-nitro-1,2,5-oxadiazole-3-carboxylic acid
InChI:
InChI=1S/C3HN3O5/c7-3(8)1-2(6(9)10)5-11-4-1/h(H,7,8)
InChI Key:
CYQGLNJPAMWIKQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nonc1[N+](=O)[O-]
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.057g/mol
Monoisotopic Mass:
158.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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