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100483-42-9 | L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride (1:1)
CAS No: 100483-42-9 Catalog No: AG00023Q MDL No:
Product Description
Catalog Number:
AG00023Q
Chemical Name:
L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride (1:1)
CAS Number:
100483-42-9
Molecular Formula:
C12H16ClNO4
Molecular Weight:
273.7127
IUPAC Name:
1-O-benzyl 4-O-methyl (2S)-2-aminobutanedioate;hydrochloride
InChI:
InChI=1S/C12H15NO4.ClH/c1-16-11(14)7-10(13)12(15)17-8-9-5-3-2-4-6-9;/h2-6,10H,7-8,13H2,1H3;1H/t10-;/m0./s1
InChI Key:
GFMMKCKPULMBOT-PPHPATTJSA-N
SMILES:
COC(=O)C[C@@H](C(=O)OCc1ccccc1)N.Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.713g/mol
Monoisotopic Mass:
273.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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