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88067-96-3 | D-Aspartic acid, dimethyl ester
CAS No: 88067-96-3 Catalog No: AG004KR3 MDL No:
Product Description
Catalog Number:
AG004KR3
Chemical Name:
D-Aspartic acid, dimethyl ester
CAS Number:
88067-96-3
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
IUPAC Name:
dimethyl (2R)-2-aminobutanedioate
InChI:
InChI=1S/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3/t4-/m1/s1
InChI Key:
BYHXBBOSJKPUJL-SCSAIBSYSA-N
SMILES:
COC(=O)C[C@H](C(=O)OC)N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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