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1086380-44-0 | 5-(3-Furyl)-1,2,4-oxadiazole-3-carboxylic acid
CAS No: 1086380-44-0 Catalog No: AG01F9Z6 MDL No:
Product Description
Catalog Number:
AG01F9Z6
Chemical Name:
5-(3-Furyl)-1,2,4-oxadiazole-3-carboxylic acid
CAS Number:
1086380-44-0
Molecular Formula:
C7H4N2O4
Molecular Weight:
180.1177
IUPAC Name:
5-(furan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
InChI:
InChI=1S/C7H4N2O4/c10-7(11)5-8-6(13-9-5)4-1-2-12-3-4/h1-3H,(H,10,11)
InChI Key:
HFXDLPQTYUQYJB-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(n1)c1cocc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.119g/mol
Monoisotopic Mass:
180.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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