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Home > Other Heterocycles > 6684-61-3
6684-61-3 | 8-METHYLSPIRO(2.5)OCTAN-4-ONE SEMICARBAZONE
CAS No: 6684-61-3 Catalog No: AG006QFO MDL No:
Product Description
Catalog Number:
AG006QFO
Chemical Name:
8-METHYLSPIRO(2.5)OCTAN-4-ONE SEMICARBAZONE
CAS Number:
6684-61-3
Molecular Formula:
C10H17N3O
Molecular Weight:
195.2615
IUPAC Name:
[(4-methylspiro[2.5]octan-8-ylidene)amino]urea
InChI:
InChI=1S/C10H17N3O/c1-7-3-2-4-8(10(7)5-6-10)12-13-9(11)14/h7H,2-6H2,1H3,(H3,11,13,14)
InChI Key:
KYMJGPIRJMHZOU-UHFFFAOYSA-N
SMILES:
NC(=O)NN=C1CCCC(C21CC2)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.137g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.266g/mol
Monoisotopic Mass:
195.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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