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88848-45-7 | 1,3-Propanediol,2-(hydroxymethyl)-2-[[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxy]methyl]-
CAS No: 88848-45-7 Catalog No: AG004BP3 MDL No:
Product Description
Catalog Number:
AG004BP3
Chemical Name:
1,3-Propanediol,2-(hydroxymethyl)-2-[[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxy]methyl]-
CAS Number:
88848-45-7
Molecular Formula:
C11H22O7
Molecular Weight:
266.2882
IUPAC Name:
2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol
InChI:
InChI=1S/C11H22O7/c12-1-10(2-13,3-14)5-16-6-11(4-15)7-17-9-18-8-11/h12-15H,1-9H2
InChI Key:
RFMRTKNDQKLJJS-UHFFFAOYSA-N
SMILES:
OCC1(COCC(CO)(CO)CO)COCOC1
EC Number:
289-449-3
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
266.29g/mol
Monoisotopic Mass:
266.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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