Home Aldehydes 54593-26-9
54593-26-9,MFCD02681977
Catalog No.:AA003ILT
54593-26-9 | 3,5-Dimethyl-4-isoxazolecarbaldehyde
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Purity
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5g
98%
in stock  
$72.00   $50.00
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10g
98%
in stock  
$129.00   $90.00
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25g
98%
in stock  
$250.00   $175.00
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100g
98%
in stock  
$834.00   $584.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ILT
Chemical Name:
3,5-Dimethyl-4-isoxazolecarbaldehyde
CAS Number:
54593-26-9
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD02681977
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C6H7NO2/c1-4-6(3-8)5(2)9-7-4/h3H,1-2H3
InChI Key:
TVAYXKLCEILMEA-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)noc1C
NSC Number:
151753
Properties
Computed Properties
 
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
3,5-Dimethyl-4-Isoxazolecarbaldehyde 
54593-26-9 
AC1L6BZT 
AC1Q2EVN 
AC1Q2EVO 
ACMC-1AXD1 
AC1Q6Q1Y 
SCHEMBL96416 
KSC496E3J 
CTK3J6234 
DTXSID90302520 
TVAYXKLCEILMEA-UHFFFAOYSA-N 
3,5-dimethylisoxazole-4-carbaldehyde 
WT779 
ZINC158502 
ACT01855 
ALBB-004460 
KS-00000O8F 
3,5-dimethylisoxazol-4-carbaldehyde 
ANW-32121 
SBB047372 
STK502097 
3,5-dimethyl-isoxazole-4-carbaldehyde 
3,5-dimethyl-1,2-oxazole-4-carbaldehyde 
AKOS000264823 
AB12163 
CS-W002952 
MCULE-2065045169 
NSC-151753 
PS-4243 
RP00768 
RTR-032615 
VO10029 
AJ-15200 
3,5-DIMETHYLISOXAZOLE-4-CARBOXALDEHYDE 
AK-35596 
AN-40531 
BR-35596 
CJ-01754 
SC-05241 
SY019252 
ZB006911 
AB0025419 
AB1008641 
DB-022092 
MFCD02681977 
ST2417305 
TR-032615 
BB 0255051 
D4682 
FT-0614675 
W6880 
EN300-09266 
MFCD02681977 (97%) 
3,5-DIMETHYL-4-ISOXAZOLECARBOXALDEHYDE 
C-1416 
4-Isoxazolecarboxaldehyde, 3,5-dimethyl- 
3,5-dimethyl-4-isoxazolecarbaldehyde, AldrichCPR 
593D269 
54593-26-9 3,5-dimethylisoxazole-4-carbaldehyde 
J-511348 
3,5-Dimethyl-4-formylisoxazole; 3,5-Dimethylisoxazole-4-carboxaldehyde 
C6H7NO2 
AR-1E9723 
CID289576 
3,5-Dimethyl-4-isoxazolecarbaldehyde, 97% - 1G 1g 
5469-80-7 
3,5-Dimethyl-4-formalisoxazole 
NSC151753 
PubChem8682 
Literature
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