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890621-20-2,MFCD03030194
Catalog No.:AA0040PN
890621-20-2 | 1H-Pyrazole-5-carboxylicacid, 3-(2-ethoxyphenyl)-
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1g
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2 weeks  
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Technical Information
Catalog Number:
AA0040PN
Chemical Name:
1H-Pyrazole-5-carboxylicacid, 3-(2-ethoxyphenyl)-
CAS Number:
890621-20-2
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD03030194
IUPAC Name:
3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C12H12N2O3/c1-2-17-11-6-4-3-5-8(11)9-7-10(12(15)16)14-13-9/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
InChI Key:
AEWKKBWNUCOEAA-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1c1n[nH]c(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
890621-20-2 
3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid 
CTK6G3060 
DTXSID70390263 
ZINC6848481 
2208AF 
SBB014030 
STK392484 
AKOS000270669 
AKOS009459829 
MCULE-7558503135 
NE46108 
5-(2-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid 
RTR-044345 
ST063721 
TR-044345 
BB 0219062 
EN300-41528 
AB00678081-01 
5-(2-ethoxyphenyl)-2H-pyrazole-3-carboxylic acid 
F2130-0043 
Z910842132 
C12H12N2O3 
5-(2-Ethoxy-phenyl)-2H-pyrazole-3-carboxylic acid 
CID3159738 
L-2342 
1H-Pyrazole-5-carboxylicacid, 3-(2-ethoxyphenyl)- 
3-(2-ethoxyphenyl)pyrazole-5-carboxylic acid 
AC1MKMOD 
BAS 10198284 
AC1Q35KG 
CTK3E7213 
Literature
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