200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 130800-02-1
130800-02-1 | 1,4-Benzenediethanol, 1,4-dimethanesulfonate
CAS No: 130800-02-1 Catalog No: AG000UYT MDL No:
Product Description
Catalog Number:
AG000UYT
Chemical Name:
1,4-Benzenediethanol, 1,4-dimethanesulfonate
CAS Number:
130800-02-1
Molecular Formula:
C12H18O6S2
Molecular Weight:
322.3977
IUPAC Name:
2-[4-(2-hydroxyethyl)phenyl]ethanol;methanesulfonic acid
InChI:
InChI=1S/C10H14O2.2CH4O3S/c11-7-5-9-1-2-10(4-3-9)6-8-12;2*1-5(2,3)4/h1-4,11-12H,5-8H2;2*1H3,(H,2,3,4)
InChI Key:
GRZXXOAVJLYBBP-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCCc1ccc(cc1)CCOS(=O)(=O)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.42g/mol
Monoisotopic Mass:
358.076g/mol
Rotatable Bond Count:
4
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.