Home Carboxys 5,6-dimethyl-1-benzofuran-3-carboxylic acid

5,6-dimethyl-1-benzofuran-3-carboxylic acid

CAS No.:
1334305-03-1
Catalog Number:
AG01ACT1
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG01ACT1
Chemical Name:
5,6-dimethyl-1-benzofuran-3-carboxylic acid
CAS Number:
1334305-03-1
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD26663500
IUPAC Name:
5,6-dimethyl-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C11H10O3/c1-6-3-8-9(11(12)13)5-14-10(8)4-7(6)2/h3-5H,1-2H3,(H,12,13)
InChI Key:
KDMLAYXNCVXDOM-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc2c1cc(C)c(c2)C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties