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1010800-27-7 | 1H-Pyrazol-3-amine, 4-ethyl-, ethanedioate (1:1)
CAS No: 1010800-27-7 Catalog No: AG0003OG MDL No:MFCD11114053
Product Description
Catalog Number:
AG0003OG
Chemical Name:
1H-Pyrazol-3-amine, 4-ethyl-, ethanedioate (1:1)
CAS Number:
1010800-27-7
Molecular Formula:
C7H11N3O4
Molecular Weight:
201.1799
MDL Number:
MFCD11114053
IUPAC Name:
4-ethyl-1H-pyrazol-5-amine;oxalic acid
InChI:
InChI=1S/C5H9N3.C2H2O4/c1-2-4-3-7-8-5(4)6;3-1(4)2(5)6/h3H,2H2,1H3,(H3,6,7,8);(H,3,4)(H,5,6)
InChI Key:
FVLVDCDPTRTWLR-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCc1c[nH]nc1N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
201.182g/mol
Monoisotopic Mass:
201.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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