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1888-91-1 | 2H-Azepin-2-one, 1-acetylhexahydro-
CAS No: 1888-91-1 Catalog No: AG002HC4 MDL No:MFCD00003262
Product Description
Catalog Number:
AG002HC4
Chemical Name:
2H-Azepin-2-one, 1-acetylhexahydro-
CAS Number:
1888-91-1
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD00003262
IUPAC Name:
1-acetylazepan-2-one
InChI:
InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
InChI Key:
QISSLHPKTCLLDL-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCCCCC1=O
EC Number:
217-565-6
UNII:
171CCE77J8
NSC Number:
522408
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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