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1193387-88-0 | 1H-Pyrazole-1-acetic acid, 4-amino-, methyl ester, hydrochloride (1:2)
CAS No: 1193387-88-0 Catalog No: AG000ILW MDL No:MFCD12912903
Product Description
Catalog Number:
AG000ILW
Chemical Name:
1H-Pyrazole-1-acetic acid, 4-amino-, methyl ester, hydrochloride (1:2)
CAS Number:
1193387-88-0
Molecular Formula:
C6H11Cl2N3O2
Molecular Weight:
228.0764
MDL Number:
MFCD12912903
IUPAC Name:
methyl 2-(4-aminopyrazol-1-yl)acetate;dihydrochloride
InChI:
InChI=1S/C6H9N3O2.2ClH/c1-11-6(10)4-9-3-5(7)2-8-9;;/h2-3H,4,7H2,1H3;2*1H
InChI Key:
VGPNGONDCIEPIW-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1ncc(c1)N.Cl.Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.073g/mol
Monoisotopic Mass:
227.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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