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72790-88-6 | 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylcyclopropyl)-
CAS No: 72790-88-6 Catalog No: AG005F0M MDL No:
Product Description
Catalog Number:
AG005F0M
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylcyclopropyl)-
CAS Number:
72790-88-6
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
5-(1-methylcyclopropyl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C6H8N2O2/c1-6(2-3-6)4-7-8-5(9)10-4/h2-3H2,1H3,(H,8,9)
InChI Key:
KLJILTOWHMVZNY-UHFFFAOYSA-N
SMILES:
CC1(CC1)c1n[nH]c(=O)o1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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