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146328-24-7 | Aspartic acid, N-hydroxy-, dimethyl ester (9CI)
CAS No: 146328-24-7 Catalog No: AG001DW2 MDL No:
Product Description
Catalog Number:
AG001DW2
Chemical Name:
Aspartic acid, N-hydroxy-, dimethyl ester (9CI)
CAS Number:
146328-24-7
Molecular Formula:
C6H11NO5
Molecular Weight:
177.1552
IUPAC Name:
dimethyl 2-(hydroxyamino)butanedioate
InChI:
InChI=1S/C6H11NO5/c1-11-5(8)3-4(7-10)6(9)12-2/h4,7,10H,3H2,1-2H3
InChI Key:
WBIWRXKJPJQOEG-UHFFFAOYSA-N
SMILES:
COC(=O)C[C@@H](C(=O)OC)NO
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.156g/mol
Monoisotopic Mass:
177.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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