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1250278-88-6 | 1H-1,2,4-Triazole-1-acetic acid, 3,5-dimethyl-, methyl ester
CAS No: 1250278-88-6 Catalog No: AG000N05 MDL No:MFCD14619296
Product Description
Catalog Number:
AG000N05
Chemical Name:
1H-1,2,4-Triazole-1-acetic acid, 3,5-dimethyl-, methyl ester
CAS Number:
1250278-88-6
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD14619296
IUPAC Name:
methyl 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetate
InChI:
InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-7(11)12-3/h4H2,1-3H3
InChI Key:
ZGSQCSZBQPRGPY-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1nc(nc1C)C
Properties
Complexity:
174
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:
0
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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