200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116315-73-2
116315-73-2 | 1,2-Butanediol, 4-(phenylmethoxy)-, dimethanesulfonate, (S)- (9CI)
CAS No: 116315-73-2 Catalog No: AG000C6X MDL No:
Product Description
Catalog Number:
AG000C6X
Chemical Name:
1,2-Butanediol, 4-(phenylmethoxy)-, dimethanesulfonate, (S)- (9CI)
CAS Number:
116315-73-2
Molecular Formula:
C13H20O7S2
Molecular Weight:
352.4237
IUPAC Name:
methanesulfonic acid;4-phenylmethoxybutane-1,2-diol
InChI:
InChI=1S/C11H16O3.2CH4O3S/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10;2*1-5(2,3)4/h1-5,11-13H,6-9H2;2*1H3,(H,2,3,4)
InChI Key:
KCIWRHBNCPUSHA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O[C@H](COS(=O)(=O)C)CCOCc1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
388.446g/mol
Monoisotopic Mass:
388.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.