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618383-47-4,MFCD04124288
Catalog No.:AA003I24
618383-47-4 | 3-(4-Methoxyphenyl)-5-isoxazolecarboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$65.00   $45.00
- +
5g
96%
in stock  
$200.00   $140.00
- +
25g
96%
in stock  
$953.00   $667.00
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Technical Information
Catalog Number:
AA003I24
Chemical Name:
3-(4-Methoxyphenyl)-5-isoxazolecarboxylic acid
CAS Number:
618383-47-4
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD04124288
IUPAC Name:
3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-6H,1H3,(H,13,14)
InChI Key:
WEFMAZCRNQZFAY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
618383-47-4 
3-(4-methoxyphenyl)isoxazole-5-carboxylic acid 
DTXSID50360641 
methoxyphenylisoxazolecarboxylicacid 
WEFMAZCRNQZFAY-UHFFFAOYSA-N 
ZINC873831 
ALBB-009881 
ANW-51592 
MFCD04124288 
SBB007283 
STK341644 
AKOS000302943 
3-(4-Methoxyphenyl)-5-isoxazolecarboxylic acid 
MCULE-7513134172 
RP12670 
RTR-021269 
TRA0052958 
11L-327S 
AJ-24095 
AK-22044 
BR-22044 
EN000320 
ST073629 
3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid 
AB0025845 
DB-001888 
ST2417373 
4CH-015359 
AM20060406 
FT-0677357 
W7389 
EN300-92825 
5-Isoxazolecarboxylicacid,3-(4-methoxyphenyl)- 
82M165 
3-(4-Methoxy-phenyl)-isoxazole-5-carboxylic acid 
S-3340 
3-(4-Methoxyphenyl)-5-isoxazole carboxylic acid 
5-Isoxazolecarboxylicacid, 3-(4-methoxyphenyl)- 
5-Isoxazolecarboxylic acid, 3-(4-methoxyphenyl)- 
SR-01000368583 
J-510727 
SR-01000368583-1 
3-(4-METHOXYPHENYL)-5-ISOXAZOLECARBOXYLICACID 
Z1741972307 
C11H9NO4 
AC1LMMXH 
2-Iodo-alpha-phenylbenzenemethanol 
3- -5-ISOXAZOLECARBOXYLICACID 
CID1132970 
33282-16-5 
BAS 10151642 
SCHEMBL2730319 
CTK2F2654 
KS-00000NAU 
Literature
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