200,000+ products from a single source!
sales@angenechem.com
20688-60-2 | 1,4-Dioxane-2,5-diol, diacetate, trans- (9CI)
CAS No: 20688-60-2 Catalog No: AG002IR0 MDL No:
Product Description
Catalog Number:
AG002IR0
Chemical Name:
1,4-Dioxane-2,5-diol, diacetate, trans- (9CI)
CAS Number:
20688-60-2
Molecular Formula:
C8H12O6
Molecular Weight:
204.1773
IUPAC Name:
acetic acid;(2S,5R)-1,4-dioxane-2,5-diol
InChI:
InChI=1S/C4H8O4.2C2H4O2/c5-3-1-7-4(6)2-8-3;2*1-2(3)4/h3-6H,1-2H2;2*1H3,(H,3,4)/t3-,4+;;
InChI Key:
ATNGSTZPPZQWNB-NDXJVULZSA-N
SMILES:
CC(=O)O[C@@H]1OC[C@H](OC1)OC(=O)C
Properties
Complexity:
95.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
240.208g/mol
Monoisotopic Mass:
240.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.