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19090-89-2 | 2H-Azepin-2-one, 1-butylhexahydro-
CAS No: 19090-89-2 Catalog No: AG002EWW MDL No:
Product Description
Catalog Number:
AG002EWW
Chemical Name:
2H-Azepin-2-one, 1-butylhexahydro-
CAS Number:
19090-89-2
Molecular Formula:
C10H19NO
Molecular Weight:
169.2640
IUPAC Name:
1-butylazepan-2-one
InChI:
InChI=1S/C10H19NO/c1-2-3-8-11-9-6-4-5-7-10(11)12/h2-9H2,1H3
InChI Key:
VGZOTUWVGXUNRC-UHFFFAOYSA-N
SMILES:
CCCCN1CCCCCC1=O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.147g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.268g/mol
Monoisotopic Mass:
169.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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