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1005901-00-7 | Isoxazole, 4-(2-azidoethyl)-3,5-dimethyl-
CAS No: 1005901-00-7 Catalog No: AG0002E8 MDL No:
Product Description
Catalog Number:
AG0002E8
Chemical Name:
Isoxazole, 4-(2-azidoethyl)-3,5-dimethyl-
CAS Number:
1005901-00-7
Molecular Formula:
C7H10N4O
Molecular Weight:
166.1805
IUPAC Name:
4-(2-azidoethyl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C7H10N4O/c1-5-7(3-4-9-11-8)6(2)12-10-5/h3-4H2,1-2H3
InChI Key:
WSDSSKQURSMOHF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCc1c(C)noc1C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.184g/mol
Monoisotopic Mass:
166.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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