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328113-30-0 | N'-[(1E)-3,3-dimethyl-5-oxocyclohexylidene]pyridine-4-carbohydrazide
CAS No: 328113-30-0 Catalog No: AG00IV8G MDL No:MFCD03041002
Product Description
Catalog Number:
AG00IV8G
Chemical Name:
N'-[(1E)-3,3-dimethyl-5-oxocyclohexylidene]pyridine-4-carbohydrazide
CAS Number:
328113-30-0
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD03041002
IUPAC Name:
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]pyridine-4-carboxamide
InChI:
InChI=1S/C14H17N3O2/c1-14(2)8-11(7-12(18)9-14)16-17-13(19)10-3-5-15-6-4-10/h3-6H,7-9H2,1-2H3,(H,17,19)
InChI Key:
YWLOJJVJYQBSDP-UHFFFAOYSA-N
SMILES:
O=C1C/C(=N/NC(=O)c2ccncc2)/CC(C1)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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