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115618-79-6 | 1,2,4-Oxadiazole, 5-cyclopropyl-3-(isocyanatomethyl)-
CAS No: 115618-79-6 Catalog No: AG000G99 MDL No:
Product Description
Catalog Number:
AG000G99
Chemical Name:
1,2,4-Oxadiazole, 5-cyclopropyl-3-(isocyanatomethyl)-
CAS Number:
115618-79-6
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
IUPAC Name:
5-cyclopropyl-3-(isocyanatomethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C7H7N3O2/c11-4-8-3-6-9-7(12-10-6)5-1-2-5/h5H,1-3H2
InChI Key:
WMRXQHMITJEKML-UHFFFAOYSA-N
SMILES:
O=C=NCc1noc(n1)C1CC1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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