Home Carboxes 100187-10-8
100187-10-8,MFCD11973618
Catalog No.:AA000138
100187-10-8 | 1H-1,2,4-Triazole-5-acetic acid, 3-methyl-, ethyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>97%
3 weeks  
$150.00
- +
5mg
>97%
3 weeks  
$162.00
- +
10mg
>97%
3 weeks  
$185.00
- +
20mg
>97%
3 weeks  
$226.00
- +
500mg
>97%
3 weeks  
$318.00
- +
1g
>97%
3 weeks  
$396.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA000138
Chemical Name:
1H-1,2,4-Triazole-5-acetic acid, 3-methyl-, ethyl ester
CAS Number:
100187-10-8
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD11973618
IUPAC Name:
ethyl 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate
InChI:
InChI=1S/C7H11N3O2/c1-3-12-7(11)4-6-8-5(2)9-10-6/h3-4H2,1-2H3,(H,8,9,10)
InChI Key:
VAONPPCFYKJZBF-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1[nH]nc(n1)C
Properties
Computed Properties
 
Complexity:
163  
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:
4  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature
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