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119554-69-7 | Ethanone, 1-(3,4,5,8-tetrahydro-1(2H)-azocinyl)-
CAS No: 119554-69-7 Catalog No: AG000IYG MDL No:MFCD18824279
Product Description
Catalog Number:
AG000IYG
Chemical Name:
Ethanone, 1-(3,4,5,8-tetrahydro-1(2H)-azocinyl)-
CAS Number:
119554-69-7
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
MDL Number:
MFCD18824279
IUPAC Name:
1-(3,4,5,8-tetrahydro-2H-azocin-1-yl)ethanone
InChI:
InChI=1S/C9H15NO/c1-9(11)10-7-5-3-2-4-6-8-10/h3,5H,2,4,6-8H2,1H3
InChI Key:
BPDIUFOAWDHLCM-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCCCC=CC1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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