200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 147167-68-8
147167-68-8 | Benzoic acid, 2,5-bis(2-propyn-1-yloxy)-, 2-propyn-1-yl ester
CAS No: 147167-68-8 Catalog No: AG001ENV MDL No:
Product Description
Catalog Number:
AG001ENV
Chemical Name:
Benzoic acid, 2,5-bis(2-propyn-1-yloxy)-, 2-propyn-1-yl ester
CAS Number:
147167-68-8
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
IUPAC Name:
prop-2-ynyl 2,5-bis(prop-2-ynoxy)benzoate
InChI:
InChI=1S/C16H12O4/c1-4-9-18-13-7-8-15(19-10-5-2)14(12-13)16(17)20-11-6-3/h1-3,7-8,12H,9-11H2
InChI Key:
VVFQOGXYQODZGE-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(c(c1)C(=O)OCC#C)OCC#C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.