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15895-49-5 | Guanidine, N-cyano-, ethanedioate (1:?)
CAS No: 15895-49-5 Catalog No: AG001R1C MDL No:
Product Description
Catalog Number:
AG001R1C
Chemical Name:
Guanidine, N-cyano-, ethanedioate (1:?)
CAS Number:
15895-49-5
Molecular Formula:
C4H6N4O4
Molecular Weight:
174.1148
IUPAC Name:
2-cyanoguanidine;oxalic acid
InChI:
InChI=1S/C2H4N4.C2H2O4/c3-1-6-2(4)5;3-1(4)2(5)6/h(H4,4,5,6);(H,3,4)(H,5,6)
InChI Key:
DMYGSSOKJQOGLN-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.N#CNC(=N)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
174.116g/mol
Monoisotopic Mass:
174.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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