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150464-08-7 | Acetic acid, aminocyano-, ethyl ester, ethanedioate (1:1) (9CI)
CAS No: 150464-08-7 Catalog No: AG001MML MDL No:
Product Description
Catalog Number:
AG001MML
Chemical Name:
Acetic acid, aminocyano-, ethyl ester, ethanedioate (1:1) (9CI)
CAS Number:
150464-08-7
Molecular Formula:
C7H10N2O6
Molecular Weight:
218.1641
IUPAC Name:
ethyl 2-amino-2-cyanoacetate;oxalic acid
InChI:
InChI=1S/C5H8N2O2.C2H2O4/c1-2-9-5(8)4(7)3-6;3-1(4)2(5)6/h4H,2,7H2,1H3;(H,3,4)(H,5,6)
InChI Key:
YZIZYKCWIMZEMB-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCOC(=O)C(C#N)N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.165g/mol
Monoisotopic Mass:
218.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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