200,000+ products from a single source!
sales@angenechem.com
142247-65-2 | 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 5-hexen-1-yl ester
CAS No: 142247-65-2 Catalog No: AG001I1M MDL No:
Product Description
Catalog Number:
AG001I1M
Chemical Name:
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 5-hexen-1-yl ester
CAS Number:
142247-65-2
Molecular Formula:
C15H14O5
Molecular Weight:
274.2687
IUPAC Name:
hex-5-enyl 1,3-dioxo-2-benzofuran-5-carboxylate
InChI:
InChI=1S/C15H14O5/c1-2-3-4-5-8-19-13(16)10-6-7-11-12(9-10)15(18)20-14(11)17/h2,6-7,9H,1,3-5,8H2
InChI Key:
UYBIWDUOMBRNRD-UHFFFAOYSA-N
SMILES:
C=CCCCCOC(=O)c1ccc2c(c1)C(=O)OC2=O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.272g/mol
Monoisotopic Mass:
274.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.