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872452-02-3 | Acetamide,N-[1-(3-oxo-1-cyclohexen-1-yl)ethenyl]-
CAS No: 872452-02-3 Catalog No: AG004MMQ MDL No:
Product Description
Catalog Number:
AG004MMQ
Chemical Name:
Acetamide,N-[1-(3-oxo-1-cyclohexen-1-yl)ethenyl]-
CAS Number:
872452-02-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide
InChI:
InChI=1S/C10H13NO2/c1-7(11-8(2)12)9-4-3-5-10(13)6-9/h6H,1,3-5H2,2H3,(H,11,12)
InChI Key:
NTTOBMRUPOTBQA-UHFFFAOYSA-N
SMILES:
CC(=O)NC(=C)C1=CC(=O)CCC1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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