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81902-49-0 | Propanedioic acid, [[(2,4-dimethoxyphenyl)methyl]amino]-, diethyl ester
CAS No: 81902-49-0 Catalog No: AG00566W MDL No:
Product Description
Catalog Number:
AG00566W
Chemical Name:
Propanedioic acid, [[(2,4-dimethoxyphenyl)methyl]amino]-, diethyl ester
CAS Number:
81902-49-0
Molecular Formula:
C16H23NO6
Molecular Weight:
325.3569
IUPAC Name:
diethyl 2-[(2,4-dimethoxyphenyl)methylamino]propanedioate
InChI:
InChI=1S/C16H23NO6/c1-5-22-15(18)14(16(19)23-6-2)17-10-11-7-8-12(20-3)9-13(11)21-4/h7-9,14,17H,5-6,10H2,1-4H3
InChI Key:
NHKVBPRGGXQNHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)NCc1ccc(cc1OC)OC
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.361g/mol
Monoisotopic Mass:
325.153g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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