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146328-29-2 | Aspartic acid, N-hydroxy-N-phenyl-, diethyl ester (9CI)
CAS No: 146328-29-2 Catalog No: AG001DW1 MDL No:
Product Description
Catalog Number:
AG001DW1
Chemical Name:
Aspartic acid, N-hydroxy-N-phenyl-, diethyl ester (9CI)
CAS Number:
146328-29-2
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
IUPAC Name:
diethyl 2-(N-hydroxyanilino)butanedioate
InChI:
InChI=1S/C14H19NO5/c1-3-19-13(16)10-12(14(17)20-4-2)15(18)11-8-6-5-7-9-11/h5-9,12,18H,3-4,10H2,1-2H3
InChI Key:
ONUVYIXTUIPGBN-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H](N(c1ccccc1)O)CC(=O)OCC
Properties
Complexity:
315
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:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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