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2055841-17-1 | 2H-Indazole-5-methanamine, 2-methyl-, ethanedioate (2:1)
CAS No: 2055841-17-1 Catalog No: AG002A80 MDL No:
Product Description
Catalog Number:
AG002A80
Chemical Name:
2H-Indazole-5-methanamine, 2-methyl-, ethanedioate (2:1)
CAS Number:
2055841-17-1
Molecular Formula:
C20H24N6O4
Molecular Weight:
412.4424
IUPAC Name:
(2-methylindazol-5-yl)methanamine;oxalic acid
InChI:
InChI=1S/2C9H11N3.C2H2O4/c2*1-12-6-8-4-7(5-10)2-3-9(8)11-12;3-1(4)2(5)6/h2*2-4,6H,5,10H2,1H3;(H,3,4)(H,5,6)
InChI Key:
WTVUUKVAZXHVTF-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCc1ccc2c(c1)cn(n2)C.NCc1ccc2c(c1)cn(n2)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.186g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
412.45g/mol
Monoisotopic Mass:
412.186g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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