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102943-52-2 | 2-METHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE SEMICARBAZONE
CAS No: 102943-52-2 Catalog No: AG007IJD MDL No:
Product Description
Catalog Number:
AG007IJD
Chemical Name:
2-METHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE SEMICARBAZONE
CAS Number:
102943-52-2
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
IUPAC Name:
[(2-methylcyclohexen-1-yl)methylideneamino]urea
InChI:
InChI=1S/C9H15N3O/c1-7-4-2-3-5-8(7)6-11-12-9(10)13/h6H,2-5H2,1H3,(H3,10,12,13)
InChI Key:
SNORNDIJWKDGOY-UHFFFAOYSA-N
SMILES:
NC(=O)NN=CC1=C(C)CCCC1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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