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69630-50-8 | D-ASPARTIC ACID-1,4-DIMETHYL ESTER HYDROCHLORIDE
CAS No: 69630-50-8 Catalog No: AG0034OP MDL No:MFCD00070384
Product Description
Catalog Number:
AG0034OP
Chemical Name:
D-ASPARTIC ACID-1,4-DIMETHYL ESTER HYDROCHLORIDE
CAS Number:
69630-50-8
Molecular Formula:
C6H12ClNO4
Molecular Weight:
197.6168
MDL Number:
MFCD00070384
IUPAC Name:
dimethyl (2R)-2-aminobutanedioate;hydrochloride
InChI:
InChI=1S/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H/t4-;/m1./s1
InChI Key:
PNLXWGDXZOYUKB-PGMHMLKASA-N
SMILES:
COC(=O)C[C@H](C(=O)OC)N.Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.615g/mol
Monoisotopic Mass:
197.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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