200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89329-65-7
89329-65-7 | 10-Undecyn-1-ol, 4-methylbenzenesulfonate
CAS No: 89329-65-7 Catalog No: AG003YEN MDL No:
Product Description
Catalog Number:
AG003YEN
Chemical Name:
10-Undecyn-1-ol, 4-methylbenzenesulfonate
CAS Number:
89329-65-7
Molecular Formula:
C18H28O4S
Molecular Weight:
340.4775
IUPAC Name:
4-methylbenzenesulfonic acid;undec-10-yn-1-ol
InChI:
InChI=1S/C11H20O.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12;1-6-2-4-7(5-3-6)11(8,9)10/h1,12H,3-11H2;2-5H,1H3,(H,8,9,10)
InChI Key:
NUQIGQFFZYKQRQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCCCCCCCCCC#C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.171g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.478g/mol
Monoisotopic Mass:
340.171g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.