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1260665-09-5 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-
CAS No: 1260665-09-5 Catalog No: AG000R0K MDL No:MFCD18250432
Product Description
Catalog Number:
AG000R0K
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-
CAS Number:
1260665-09-5
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD18250432
IUPAC Name:
1-tert-butyltriazole-4-carboxylic acid
InChI:
InChI=1S/C7H11N3O2/c1-7(2,3)10-4-5(6(11)12)8-9-10/h4H,1-3H3,(H,11,12)
InChI Key:
MNFXHDKCPWMRCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)C(C)(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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