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100047-61-8,MFCD05667138
Catalog No.:AA0000LR
100047-61-8 | 3-Isoxazolecarboxylic acid, 4,5-dimethyl-
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Price(USD)
Quantity
  
500mg
5-Dimethylisoxazole-3-carboxylic acid
2 weeks  
$365.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000LR
Chemical Name:
3-Isoxazolecarboxylic acid, 4,5-dimethyl-
CAS Number:
100047-61-8
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD05667138
IUPAC Name:
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c1-3-4(2)10-7-5(3)6(8)9/h1-2H3,(H,8,9)
InChI Key:
KLPASEZGNSBTBD-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1C)C
Properties
Computed Properties
 
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
100047-61-8 
4,5-dimethylisoxazole-3-carboxylic acid 
DTXSID90426997 
KLPASEZGNSBTBD-UHFFFAOYSA-N 
ALBB-004546 
ZINC2552488 
0061AA 
ANW-72234 
BBL016023 
MFCD05667138 
SBB022659 
STK312504 
4,5-DIMETHYL-ISOXAZOLE-3-CARBOXYLIC ACID 
AKOS000311446 
ACN-049020 
MCULE-7172345245 
RTR-000028 
3-Isoxazolecarboxylicacid,4,5-dimethyl- 
AJ-39615 
AS-37652 
AB0065732 
TR-000028 
CS-0088125 
4,5-dimethyl-1,2-oxazole-3-carboxylic acid 
FT-0679025 
ST45091579 
A-1735 
I04-4534 
4,5-Dimethyl-3-isoxazolecarboxylic acid, AldrichCPR 
C6H7NO3 
CID7018552 
dimethyl-1,2-oxazole-3-carboxylic acid 
3-Isoxazolecarboxylicacid, 4,5-dimethyl- 
3-Isoxazolecarboxylic acid, 4,5-dimethyl- 
ACMC-1BTIA 
SCHEMBL2131097 
CTK0H2328 
Literature
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