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13326-56-2 | Acetic acid, 2-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxo-, ethyl ester
CAS No: 13326-56-2 Catalog No: AG0014HR MDL No:
Product Description
Catalog Number:
AG0014HR
Chemical Name:
Acetic acid, 2-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxo-, ethyl ester
CAS Number:
13326-56-2
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
IUPAC Name:
ethyl 2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetate
InChI:
InChI=1S/C14H19NO5/c1-4-20-14(17)13(16)15-8-7-10-5-6-11(18-2)12(9-10)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)
InChI Key:
QZQCZJGGHQMDTC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)NCCc1ccc(c(c1)OC)OC
NSC Number:
10168
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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