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20989-68-8 | Glycine, N-(3-oxo-3-phenylpropyl)-, ethyl ester, hydrochloride (9CI)
CAS No: 20989-68-8 Catalog No: AG002KH8 MDL No:
Product Description
Catalog Number:
AG002KH8
Chemical Name:
Glycine, N-(3-oxo-3-phenylpropyl)-, ethyl ester, hydrochloride (9CI)
CAS Number:
20989-68-8
Molecular Formula:
C13H18ClNO3
Molecular Weight:
271.7399
IUPAC Name:
ethyl 2-[(3-oxo-3-phenylpropyl)amino]acetate;hydrochloride
InChI:
InChI=1S/C13H17NO3.ClH/c1-2-17-13(16)10-14-9-8-12(15)11-6-4-3-5-7-11;/h3-7,14H,2,8-10H2,1H3;1H
InChI Key:
DUMMYDXAWSLLST-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNCCC(=O)c1ccccc1.Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.741g/mol
Monoisotopic Mass:
271.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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