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147194-40-9 | 1,2,5-Oxadiazole-3-carboxylic acid, 4-[(2-hydroxyethyl)amino]-
CAS No: 147194-40-9 Catalog No: AG001EOO MDL No:MFCD00984735
Product Description
Catalog Number:
AG001EOO
Chemical Name:
1,2,5-Oxadiazole-3-carboxylic acid, 4-[(2-hydroxyethyl)amino]-
CAS Number:
147194-40-9
Molecular Formula:
C5H7N3O4
Molecular Weight:
173.1268
MDL Number:
MFCD00984735
IUPAC Name:
4-(2-hydroxyethylamino)-1,2,5-oxadiazole-3-carboxylic acid
InChI:
InChI=1S/C5H7N3O4/c9-2-1-6-4-3(5(10)11)7-12-8-4/h9H,1-2H2,(H,6,8)(H,10,11)
InChI Key:
JCWMVCTUTXHXFH-UHFFFAOYSA-N
SMILES:
OCCNc1nonc1C(=O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.128g/mol
Monoisotopic Mass:
173.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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