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88948-37-2 | 1H-Azepine-1-propanamide, hexahydro-2-oxo-
CAS No: 88948-37-2 Catalog No: AG00487G MDL No:
Product Description
Catalog Number:
AG00487G
Chemical Name:
1H-Azepine-1-propanamide, hexahydro-2-oxo-
CAS Number:
88948-37-2
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
IUPAC Name:
3-(2-oxoazepan-1-yl)propanamide
InChI:
InChI=1S/C9H16N2O2/c10-8(12)5-7-11-6-3-1-2-4-9(11)13/h1-7H2,(H2,10,12)
InChI Key:
CERAKXNNJWFTNH-UHFFFAOYSA-N
SMILES:
NC(=O)CCN1CCCCCC1=O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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