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2875-51-6 | 2H-Azepin-2-one, hexahydro-1-(1-oxo-2-propen-1-yl)-
CAS No: 2875-51-6 Catalog No: AG002WCN MDL No:
Product Description
Catalog Number:
AG002WCN
Chemical Name:
2H-Azepin-2-one, hexahydro-1-(1-oxo-2-propen-1-yl)-
CAS Number:
2875-51-6
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
1-prop-2-enoylazepan-2-one
InChI:
InChI=1S/C9H13NO2/c1-2-8(11)10-7-5-3-4-6-9(10)12/h2H,1,3-7H2
InChI Key:
CFMZBHZCIMJYHV-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCCCCC1=O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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