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303148-48-3 | 1H-1,2,4-Triazole-1-acetic acid, α,α-dimethyl-
CAS No: 303148-48-3 Catalog No: AG002ZNG MDL No:MFCD00202110
Product Description
Catalog Number:
AG002ZNG
Chemical Name:
1H-1,2,4-Triazole-1-acetic acid, α,α-dimethyl-
CAS Number:
303148-48-3
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD00202110
IUPAC Name:
2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid
InChI:
InChI=1S/C6H9N3O2/c1-6(2,5(10)11)9-4-7-3-8-9/h3-4H,1-2H3,(H,10,11)
InChI Key:
XCYWDFDMXREMCT-UHFFFAOYSA-N
SMILES:
OC(=O)C(n1ncnc1)(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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