200,000+ products from a single source!
sales@angenechem.com
132869-46-6 | 5,6-Isobenzofurandicarboxylic acid, 4,7-dihydro-, 5,6-dimethyl ester
CAS No: 132869-46-6 Catalog No: AG0011A9 MDL No:
Product Description
Catalog Number:
AG0011A9
Chemical Name:
5,6-Isobenzofurandicarboxylic acid, 4,7-dihydro-, 5,6-dimethyl ester
CAS Number:
132869-46-6
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
dimethyl 4,7-dihydro-2-benzofuran-5,6-dicarboxylate
InChI:
InChI=1S/C12H12O5/c1-15-11(13)9-3-7-5-17-6-8(7)4-10(9)12(14)16-2/h5-6H,3-4H2,1-2H3
InChI Key:
LRIDPYRXKNNUKT-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(Cc2c(C1)coc2)C(=O)OC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.