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16115-80-3 | Propanedioic acid, 2-amino-, 1,3-dimethyl ester, hydrochloride (1:1)
CAS No: 16115-80-3 Catalog No: AG001S7Q MDL No:MFCD00038880
Product Description
Catalog Number:
AG001S7Q
Chemical Name:
Propanedioic acid, 2-amino-, 1,3-dimethyl ester, hydrochloride (1:1)
CAS Number:
16115-80-3
Molecular Formula:
C5H10ClNO4
Molecular Weight:
183.5902
MDL Number:
MFCD00038880
IUPAC Name:
dimethyl 2-aminopropanedioate;hydrochloride
InChI:
InChI=1S/C5H9NO4.ClH/c1-9-4(7)3(6)5(8)10-2;/h3H,6H2,1-2H3;1H
InChI Key:
QWNDKNJSEWOEDM-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)N.Cl
EC Number:
240-284-5
NSC Number:
522525
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
183.588g/mol
Monoisotopic Mass:
183.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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