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23358-61-4 | Aspartic acid, 1-ethyl ester, hydrochloride (9CI)
CAS No: 23358-61-4 Catalog No: AG002MY5 MDL No:
Product Description
Catalog Number:
AG002MY5
Chemical Name:
Aspartic acid, 1-ethyl ester, hydrochloride (9CI)
CAS Number:
23358-61-4
Molecular Formula:
C6H12ClNO4
Molecular Weight:
197.6168
IUPAC Name:
(3S)-3-amino-4-ethoxy-4-oxobutanoic acid;hydrochloride
InChI:
InChI=1S/C6H11NO4.ClH/c1-2-11-6(10)4(7)3-5(8)9;/h4H,2-3,7H2,1H3,(H,8,9);1H/t4-;/m0./s1
InChI Key:
MOIPKZVDIKNASQ-WCCKRBBISA-N
SMILES:
CCOC(=O)[C@H](CC(=O)O)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:
3
Isotope Atom Count:
0
Molecular Weight:
197.615g/mol
Monoisotopic Mass:
197.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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