Home Carboxys 5-methyl-4-(phenoxymethyl)furan-2-carboxylic acid

5-methyl-4-(phenoxymethyl)furan-2-carboxylic acid

CAS No.:
938143-64-7
Catalog Number:
AG01A8A3
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
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Product Description
Catalog Number:
AG01A8A3
Chemical Name:
5-methyl-4-(phenoxymethyl)furan-2-carboxylic acid
CAS Number:
938143-64-7
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
MDL Number:
MFCD09705513
IUPAC Name:
5-methyl-4-(phenoxymethyl)furan-2-carboxylic acid
InChI:
InChI=1S/C13H12O4/c1-9-10(7-12(17-9)13(14)15)8-16-11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,14,15)
InChI Key:
AYYNONLALKSFOE-UHFFFAOYSA-N
SMILES:
Cc1oc(cc1COc1ccccc1)C(=O)O
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties