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23159-61-7,MFCD03768206
Catalog No.:AA002MBO
23159-61-7 | 1H-1,2,4-Triazole-5-acetic acid, ethyl ester
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$334.00
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5g
95%
in stock  
$1,145.00
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  • Technical Information
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  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002MBO
Chemical Name:
1H-1,2,4-Triazole-5-acetic acid, ethyl ester
CAS Number:
23159-61-7
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD03768206
IUPAC Name:
ethyl 2-(1H-1,2,4-triazol-5-yl)acetate
InChI:
InChI=1S/C6H9N3O2/c1-2-11-6(10)3-5-7-4-8-9-5/h4H,2-3H2,1H3,(H,7,8,9)
InChI Key:
QWKGDUKXNRZJDH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ncn[nH]1
Properties
Computed Properties
 
Complexity:
140  
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:
4  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
23159-61-7 
Ethyl 2-(1,2,4-Triazol-5-yl)acetate 
AC1LOI8P 
SCHEMBL689390 
CTK4F1005 
DTXSID20361423 
ZINC1076051 
6651AJ 
MFCD03768206 
SBB002526 
STK772158 
AKOS005617698 
ethyl 1H-1,2,4-triazol-5-ylacetate 
AKOS017404979 
ethyl 1H-1,2,4-triazol-3-ylacetate 
MCULE-8741317385 
SB23003 
TRA0093982 
AS-48722 
Ethyl (1H-1,2,4-triazol-3-yl)acetate 
ST059605 
SY030921 
ZB015839 
ethyl 2-(1H-1,2,4-triazol-5-yl)acetate 
FT-0691054 
EC-000.1955 
MFCD03768206 (97%) 
ETHYL 2-(2H-1,2,4-TRIAZOL-3-YL)ACETATE 
(2H-[1,2,4]Triazol-3-yl)-acetic acid ethyl ester 
(2H-[1,2,4]Triazol-3-yl)acetic acid, ethyl ester 
(4H-[1,2,4]triazol-3-yl)-acetic acid ethyl ester 
Z2106606853 
C6H9N3O2 
Ethyl1H-1,2,4-triazol-5-ylacetate 
QWKGDUKXNRZJDH-UHFFFAOYSA-N 
CID1263675 
Ethyl 2-(1H-1,2,4-triazol-3-yl)acetate 
ethyl 2-(4H-1,2,4-triazol-3-yl)acetate 
1H-1,2,4-Triazole-3-acetic acid, ethyl ester 
1H-1,2,4-Triazole-5-acetic acid, ethyl ester 
ZERO/005515 
Literature
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