200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116510-22-6
116510-22-6 | 2-Propyn-1-ol, 3,3'-(1,2-phenylene)bis-, 1,1'-dimethanesulfonate
CAS No: 116510-22-6 Catalog No: AG000CO7 MDL No:
Product Description
Catalog Number:
AG000CO7
Chemical Name:
2-Propyn-1-ol, 3,3'-(1,2-phenylene)bis-, 1,1'-dimethanesulfonate
CAS Number:
116510-22-6
Molecular Formula:
C14H18O8S2
Molecular Weight:
378.4179
IUPAC Name:
3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol;methanesulfonic acid
InChI:
InChI=1S/C12H10O2.2CH4O3S/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14;2*1-5(2,3)4/h1-2,5-6,13-14H,9-10H2;2*1H3,(H,2,3,4)
InChI Key:
QECAOPGASAJDQK-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CS(=O)(=O)O.OCC#Cc1ccccc1C#CCO
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.044g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
378.41g/mol
Monoisotopic Mass:
378.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.