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4414-38-4,MFCD24484690
Catalog No.:AA01AG46
4414-38-4 | 4,5-dimethyl-2-phenylfuran-3-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$728.00   $510.00
- +
500mg
95.0%
3 weeks  
$1,106.00   $774.00
- +
1g
95.0%
3 weeks  
$1,401.00   $981.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA01AG46
Chemical Name:
4,5-dimethyl-2-phenylfuran-3-carboxylic acid
CAS Number:
4414-38-4
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD24484690
IUPAC Name:
4,5-dimethyl-2-phenylfuran-3-carboxylic acid
InChI:
InChI=1S/C13H12O3/c1-8-9(2)16-12(11(8)13(14)15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)
InChI Key:
AYQVQPPMHMFZID-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(oc(c1C)C)c1ccccc1
Properties
Computed Properties
 
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
4,5-dimethyl-2-phenylfuran-3-carboxylic acid 
4414-38-4 
ZINC95973614 
AKOS026317614 
MCULE-9406821565 
NE23774 
Z1762997431 
Literature
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