200,000+ products from a single source!
sales@angenechem.com
23580-33-8 | 2-Benzofurancarboxylic acid, 6-methyl-5-(2-methylene-1-oxobutyl)-
CAS No: 23580-33-8 Catalog No: AG002NQW MDL No:
Product Description
Catalog Number:
AG002NQW
Chemical Name:
2-Benzofurancarboxylic acid, 6-methyl-5-(2-methylene-1-oxobutyl)-
CAS Number:
23580-33-8
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
6-methyl-5-(2-methylidenebutanoyl)-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C15H14O4/c1-4-8(2)14(16)11-6-10-7-13(15(17)18)19-12(10)5-9(11)3/h5-7H,2,4H2,1,3H3,(H,17,18)
InChI Key:
DLTWLXUYSLIIQN-UHFFFAOYSA-N
SMILES:
CCC(=C)C(=O)c1cc2cc(oc2cc1C)C(=O)O
UNII:
TO15Q907ZS
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.