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123975-49-5 | L-Aspartic acid, 4-(2-propen-1-yl) ester, hydrochloride (1:1)
CAS No: 123975-49-5 Catalog No: AG000LBL MDL No:
Product Description
Catalog Number:
AG000LBL
Chemical Name:
L-Aspartic acid, 4-(2-propen-1-yl) ester, hydrochloride (1:1)
CAS Number:
123975-49-5
Molecular Formula:
C7H12ClNO4
Molecular Weight:
209.6275
IUPAC Name:
(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
InChI:
InChI=1S/C7H11NO4.ClH/c1-2-3-12-6(9)4-5(8)7(10)11;/h2,5H,1,3-4,8H2,(H,10,11);1H/t5-;/m0./s1
InChI Key:
ZECRSTORJPHIEF-JEDNCBNOSA-N
SMILES:
N[C@H](C(=O)O)CC(=O)OCC=C.Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.626g/mol
Monoisotopic Mass:
209.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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