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84466-88-6 | 1-Butene, 3-azido-3-methyl-
CAS No: 84466-88-6 Catalog No: AG00550N MDL No:
Product Description
Catalog Number:
AG00550N
Chemical Name:
1-Butene, 3-azido-3-methyl-
CAS Number:
84466-88-6
Molecular Formula:
C5H9N3
Molecular Weight:
111.1451
IUPAC Name:
3-azido-3-methylbut-1-ene
InChI:
InChI=1S/C5H9N3/c1-4-5(2,3)7-8-6/h4H,1H2,2-3H3
InChI Key:
PTPBHSYZBLVTEC-UHFFFAOYSA-N
SMILES:
C=CC(N=[N+]=[N-])(C)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.08g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.148g/mol
Monoisotopic Mass:
111.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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