200,000+ products from a single source!
sales@angenechem.com
834880-17-0 | 1,3-Benzenedicarboxylic acid, 4-(2-propynyloxy)-, dimethyl ester
CAS No: 834880-17-0 Catalog No: AG004V96 MDL No:
Product Description
Catalog Number:
AG004V96
Chemical Name:
1,3-Benzenedicarboxylic acid, 4-(2-propynyloxy)-, dimethyl ester
CAS Number:
834880-17-0
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
IUPAC Name:
dimethyl 4-prop-2-ynoxybenzene-1,3-dicarboxylate
InChI:
InChI=1S/C13H12O5/c1-4-7-18-11-6-5-9(12(14)16-2)8-10(11)13(15)17-3/h1,5-6,8H,7H2,2-3H3
InChI Key:
OZMBRTJYYWTRBD-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1C(=O)OC)C(=O)OC
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.