200,000+ products from a single source!
sales@angenechem.com
768387-53-7 | Benzoic acid, 4-[(di-2-propynylamino)sulfonyl]-, methyl ester
CAS No: 768387-53-7 Catalog No: AG005HJV MDL No:
Product Description
Catalog Number:
AG005HJV
Chemical Name:
Benzoic acid, 4-[(di-2-propynylamino)sulfonyl]-, methyl ester
CAS Number:
768387-53-7
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
IUPAC Name:
methyl 4-[bis(prop-2-ynyl)sulfamoyl]benzoate
InChI:
InChI=1S/C14H13NO4S/c1-4-10-15(11-5-2)20(17,18)13-8-6-12(7-9-13)14(16)19-3/h1-2,6-9H,10-11H2,3H3
InChI Key:
OQTZTCXJNBCGBT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)S(=O)(=O)N(CC#C)CC#C
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
© 2019 Angene International Limited. All rights Reserved.