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168689-41-6 | Octanoic acid, 8-amino-7-oxo-, hydrochloride (1:1)
CAS No: 168689-41-6 Catalog No: AG001Y7Y MDL No:
Product Description
Catalog Number:
AG001Y7Y
Chemical Name:
Octanoic acid, 8-amino-7-oxo-, hydrochloride (1:1)
CAS Number:
168689-41-6
Molecular Formula:
C8H16ClNO3
Molecular Weight:
209.6705
IUPAC Name:
8-amino-7-oxooctanoic acid;hydrochloride
InChI:
InChI=1S/C8H15NO3.ClH/c9-6-7(10)4-2-1-3-5-8(11)12;/h1-6,9H2,(H,11,12);1H
InChI Key:
UUDMHRYCKXFSKE-UHFFFAOYSA-N
SMILES:
NCC(=O)CCCCCC(=O)O.Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.67g/mol
Monoisotopic Mass:
209.082g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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