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29443-45-6 | 2-Butanone, 3,3-dimethyl-, one
CAS No: 29443-45-6 Catalog No: AG002YEL MDL No:
Product Description
Catalog Number:
AG002YEL
Chemical Name:
2-Butanone, 3,3-dimethyl-, one
CAS Number:
29443-45-6
Molecular Formula:
C6H14N2
Molecular Weight:
114.1888
IUPAC Name:
3,3-dimethylbutan-2-ylidenehydrazine
InChI:
InChI=1S/C6H14N2/c1-5(8-7)6(2,3)4/h7H2,1-4H3
InChI Key:
HQEFLSCEXXFMQV-UHFFFAOYSA-N
SMILES:
NN=C(C(C)(C)C)C
Properties
Complexity:
97.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.116g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.192g/mol
Monoisotopic Mass:
114.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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