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16519-71-4 | 2,2-Dimethylvaleraldehyde semicarbazone
CAS No: 16519-71-4 Catalog No: AG00B03N MDL No:
Product Description
Catalog Number:
AG00B03N
Chemical Name:
2,2-Dimethylvaleraldehyde semicarbazone
CAS Number:
16519-71-4
IUPAC Name:
[(Z)-2,2-dimethylpentylideneamino]urea
InChI:
InChI=1S/C8H17N3O/c1-4-5-8(2,3)6-10-11-7(9)12/h6H,4-5H2,1-3H3,(H3,9,11,12)/b10-6-
InChI Key:
HOWLUCHINSUHTQ-POHAHGRESA-N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
171.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.244g/mol
Monoisotopic Mass:
171.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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