200,000+ products from a single source!
sales@angenechem.com
16817-32-6 | 2-Benzofurancarboxylic acid, 3,5-dimethyl-
CAS No: 16817-32-6 Catalog No: AG001XW6 MDL No:MFCD02182434
Product Description
Catalog Number:
AG001XW6
Chemical Name:
2-Benzofurancarboxylic acid, 3,5-dimethyl-
CAS Number:
16817-32-6
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD02182434
IUPAC Name:
3,5-dimethyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C11H10O3/c1-6-3-4-9-8(5-6)7(2)10(14-9)11(12)13/h3-5H,1-2H3,(H,12,13)
InChI Key:
CITKJMOBBHFQBZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(C)c(o2)C(=O)O
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:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.