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188859-82-7 | 1,3-Propanediol, 2-ethyl-2-[[1-(2-furanyl)propoxy]methyl]-
CAS No: 188859-82-7 Catalog No: AG002HFM MDL No:
Product Description
Catalog Number:
AG002HFM
Chemical Name:
1,3-Propanediol, 2-ethyl-2-[[1-(2-furanyl)propoxy]methyl]-
CAS Number:
188859-82-7
Molecular Formula:
C13H22O4
Molecular Weight:
242.3114
IUPAC Name:
2-ethyl-2-[1-(furan-2-yl)propoxymethyl]propane-1,3-diol
InChI:
InChI=1S/C13H22O4/c1-3-11(12-6-5-7-16-12)17-10-13(4-2,8-14)9-15/h5-7,11,14-15H,3-4,8-10H2,1-2H3
InChI Key:
SMKKMEDRUDJVHO-UHFFFAOYSA-N
SMILES:
CCC(c1ccco1)OCC(CO)(CO)CC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.315g/mol
Monoisotopic Mass:
242.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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