Home Carboxys 4,5-dimethyl-2-phenylfuran-3-carboxylic acid

4,5-dimethyl-2-phenylfuran-3-carboxylic acid

CAS No.:
4414-38-4
Catalog Number:
AG01AG6Y
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
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Product Description
Catalog Number:
AG01AG6Y
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
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  
Properties