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4414-45-3,MFCD22024587
Catalog No.:AA01AUX3
4414-45-3 | 4-methyl-2-phenylfuran-3-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$626.00
- +
250mg
95.0%
3 weeks  
$880.00
- +
500mg
95.0%
3 weeks  
$1,366.00
- +
1g
95.0%
3 weeks  
$1,744.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01AUX3
Chemical Name:
4-methyl-2-phenylfuran-3-carboxylic acid
CAS Number:
4414-45-3
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
MDL Number:
MFCD22024587
IUPAC Name:
4-methyl-2-phenylfuran-3-carboxylic acid
InChI:
InChI=1S/C12H10O3/c1-8-7-15-11(10(8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChI Key:
ORZRBEPYWGWRBV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)coc1c1ccccc1
Properties
Computed Properties
 
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
4-methyl-2-phenylfuran-3-carboxylic acid 
4414-45-3 
3-furancarboxylic acid,4-methyl-2-phenyl- 
SCHEMBL6809056 
ZINC34548332 
AKOS022624241 
MCULE-8417656087 
NE46569 
Z1770193310 
Literature
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