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786658-62-6 | 3H-Azepin-3-one, 1,2-dihydro-
CAS No: 786658-62-6 Catalog No: AG005K0C MDL No:
Product Description
Catalog Number:
AG005K0C
Chemical Name:
3H-Azepin-3-one, 1,2-dihydro-
CAS Number:
786658-62-6
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
IUPAC Name:
1,2-dihydroazepin-3-one
InChI:
InChI=1S/C6H7NO/c8-6-3-1-2-4-7-5-6/h1-4,7H,5H2
InChI Key:
FKWKKZQSIAOQTR-UHFFFAOYSA-N
SMILES:
O=C1CNC=CC=C1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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