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16856-13-6 | L-Aspartic acid, 4-methyl ester, hydrochloride (1:1)
CAS No: 16856-13-6 Catalog No: AG001Y5R MDL No:MFCD00038972
Product Description
Catalog Number:
AG001Y5R
Chemical Name:
L-Aspartic acid, 4-methyl ester, hydrochloride (1:1)
CAS Number:
16856-13-6
Molecular Formula:
C5H10ClNO4
Molecular Weight:
183.5902
MDL Number:
MFCD00038972
IUPAC Name:
(2S)-2-amino-4-methoxy-4-oxobutanoic acid;hydrochloride
InChI:
InChI=1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m0./s1
InChI Key:
QRBMPUYOGOCYDJ-DFWYDOINSA-N
SMILES:
COC(=O)C[C@@H](C(=O)O)N.Cl
EC Number:
240-880-5
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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