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88304-28-3 | Formamide, N-[2-(3-oxo-1-cyclohexen-1-yl)ethyl]-
CAS No: 88304-28-3 Catalog No: AG004943 MDL No:
Product Description
Catalog Number:
AG004943
Chemical Name:
Formamide, N-[2-(3-oxo-1-cyclohexen-1-yl)ethyl]-
CAS Number:
88304-28-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
N-[2-(3-oxocyclohexen-1-yl)ethyl]formamide
InChI:
InChI=1S/C9H13NO2/c11-7-10-5-4-8-2-1-3-9(12)6-8/h6-7H,1-5H2,(H,10,11)
InChI Key:
QTFUHCOTQICVKV-UHFFFAOYSA-N
SMILES:
O=CNCCC1=CC(=O)CCC1
Properties
Complexity:
209
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:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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