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39987-25-2 | Dimethyl 2,2'-azanediyldiacetate hydrochloride
CAS No: 39987-25-2 Catalog No: AG003PM3 MDL No:MFCD00216724
Product Description
Catalog Number:
AG003PM3
Chemical Name:
Dimethyl 2,2'-azanediyldiacetate hydrochloride
CAS Number:
39987-25-2
Molecular Formula:
C6H12ClNO4
Molecular Weight:
197.6168
MDL Number:
MFCD00216724
IUPAC Name:
methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride
InChI:
InChI=1S/C6H11NO4.ClH/c1-10-5(8)3-7-4-6(9)11-2;/h7H,3-4H2,1-2H3;1H
InChI Key:
IIWYYIACSUPJCN-UHFFFAOYSA-N
SMILES:
COC(=O)CNCC(=O)OC.Cl
NSC Number:
243632
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
197.615g/mol
Monoisotopic Mass:
197.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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