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49837-11-8 | 3-[2-(pyridin-2-yl)hydrazin-1-ylidene]azepan-2-one
CAS No: 49837-11-8 Catalog No: AG01C39E MDL No:MFCD00513423
Product Description
Catalog Number:
AG01C39E
Chemical Name:
3-[2-(pyridin-2-yl)hydrazin-1-ylidene]azepan-2-one
CAS Number:
49837-11-8
Molecular Formula:
C11H14N4O
Molecular Weight:
218.2551
MDL Number:
MFCD00513423
IUPAC Name:
3-(pyridin-2-ylhydrazinylidene)azepan-2-one
InChI:
InChI=1S/C11H14N4O/c16-11-9(5-1-3-8-13-11)14-15-10-6-2-4-7-12-10/h2,4,6-7H,1,3,5,8H2,(H,12,15)(H,13,16)
InChI Key:
JVIFHHWLQYGVMV-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1=NNc1ccccn1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.26g/mol
Monoisotopic Mass:
218.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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