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163271-32-7 | Pentanoic acid, 5-amino-4-oxo-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 163271-32-7 Catalog No: AG001TYP MDL No:MFCD03695492
Product Description
Catalog Number:
AG001TYP
Chemical Name:
Pentanoic acid, 5-amino-4-oxo-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
163271-32-7
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
MDL Number:
MFCD03695492
IUPAC Name:
benzyl 5-amino-4-oxopentanoate;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c13-8-11(14)6-7-12(15)16-9-10-4-2-1-3-5-10;/h1-5H,6-9,13H2;1H
InChI Key:
GHMCTRQKEALPCK-UHFFFAOYSA-N
SMILES:
NCC(=O)CCC(=O)OCc1ccccc1.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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