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76779-98-1 | 2-Butanone, 1-azido-3,3-dimethyl-
CAS No: 76779-98-1 Catalog No: AG005IC2 MDL No:
Product Description
Catalog Number:
AG005IC2
Chemical Name:
2-Butanone, 1-azido-3,3-dimethyl-
CAS Number:
76779-98-1
Molecular Formula:
C6H11N3O
Molecular Weight:
141.1710
IUPAC Name:
1-azido-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C6H11N3O/c1-6(2,3)5(10)4-8-9-7/h4H2,1-3H3
InChI Key:
CXEKPSNTAJVJNI-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CN=[N+]=[N-]
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.174g/mol
Monoisotopic Mass:
141.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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