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100047-54-9,MFCD09756501
Catalog No.:AA0000KN
4-Isoxazolecarboxylic acid, 5-methyl-, methyl ester | 100047-54-9
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
1 week  
$99.00
- +
250mg
95.0%
1 week  
$127.00
- +
500mg
95.0%
1 week  
$209.00
- +
1g
95.0%
1 week  
$299.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000KN
Chemical Name:
4-Isoxazolecarboxylic acid, 5-methyl-, methyl ester
CAS Number:
100047-54-9
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD09756501
IUPAC Name:
methyl 5-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C6H7NO3/c1-4-5(3-7-10-4)6(8)9-2/h3H,1-2H3
InChI Key:
AHLBUWIGURZNRZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnoc1C
EC Number:
600-020-5
Properties
Computed Properties
 
Complexity:
137  
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:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
methyl 5-methylisoxazole-4-carboxylate 
100047-54-9 
SBB053927 
ZINC35119608 
4-(Methoxycarbonyl)-5-methylisoxazole 
AKOS009116956 
MCULE-9759381409 
NE56349 
AJ-90717 
EN001351 
TS-01835 
AB1010156 
methyl 5-methyl-1,2-oxazole-4-carboxylate 
RT-013852 
EN300-59724 
4-Isoxazolecarboxylic acid, 5-methyl-, methyl ester 
4-Isoxazolecarboxylicacid, 5-methyl-, methyl ester 
I14-37500 
Z231867432 
null 
C6H7NO3 
4-Isoxazolecarboxylic acid, 5-methyl-, methyl ester (6CI,9CI) 
AC1Q42C5 
SCHEMBL13815776 
CTK6J1099 
KS-00003SYD 
DTXSID70624550 
0060AA 
ANW-67268 
Literature
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