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129902-07-4 | D-Aspartic acid, 1-methyl ester, hydrochloride (1:1)
CAS No: 129902-07-4 Catalog No: AG000TRN MDL No:
Product Description
Catalog Number:
AG000TRN
Chemical Name:
D-Aspartic acid, 1-methyl ester, hydrochloride (1:1)
CAS Number:
129902-07-4
Molecular Formula:
C5H10ClNO4
Molecular Weight:
183.5902
IUPAC Name:
(3R)-3-amino-4-methoxy-4-oxobutanoic acid;hydrochloride
InChI:
InChI=1S/C5H9NO4.ClH/c1-10-5(9)3(6)2-4(7)8;/h3H,2,6H2,1H3,(H,7,8);1H/t3-;/m1./s1
InChI Key:
SCGWHMHVOQPGLS-AENDTGMFSA-N
SMILES:
COC(=O)[C@@H](CC(=O)O)N.Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.588g/mol
Monoisotopic Mass:
183.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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