200,000+ products from a single source!
sales@angenechem.com
100117-42-8 | 5-Benzofurancarboxylic acid, 2,3-dihydro-2-methyl-, ethyl ester
CAS No: 100117-42-8 Catalog No: AG000102 MDL No:
Product Description
Catalog Number:
AG000102
Chemical Name:
5-Benzofurancarboxylic acid, 2,3-dihydro-2-methyl-, ethyl ester
CAS Number:
100117-42-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
ethyl 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
InChI:
InChI=1S/C12H14O3/c1-3-14-12(13)9-4-5-11-10(7-9)6-8(2)15-11/h4-5,7-8H,3,6H2,1-2H3
InChI Key:
POJBSPABXAWZKN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)CC(O2)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:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.