200,000+ products from a single source!
sales@angenechem.com
115392-09-1 | 1,3-Propanediol, 2-[(acetyloxy)methyl]-2-ethyl-, 1-acetate
CAS No: 115392-09-1 Catalog No: AG000FX2 MDL No:
Product Description
Catalog Number:
AG000FX2
Chemical Name:
1,3-Propanediol, 2-[(acetyloxy)methyl]-2-ethyl-, 1-acetate
CAS Number:
115392-09-1
Molecular Formula:
C10H18O5
Molecular Weight:
218.2469
IUPAC Name:
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
InChI:
InChI=1S/C6H14O3.2C2H4O2/c1-2-6(3-7,4-8)5-9;2*1-2(3)4/h7-9H,2-5H2,1H3;2*1H3,(H,3,4)
InChI Key:
SHSDLGYNDJTWHD-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C)(COC(=O)C)CO
Properties
Complexity:
91.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
254.279g/mol
Monoisotopic Mass:
254.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.