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156454-60-3 | 1,2-Propanediol, 3-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-
CAS No: 156454-60-3 Catalog No: AG001OQF MDL No:
Product Description
Catalog Number:
AG001OQF
Chemical Name:
1,2-Propanediol, 3-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-
CAS Number:
156454-60-3
Molecular Formula:
C8H18O6
Molecular Weight:
210.2249
IUPAC Name:
2-(2,3-dihydroxypropoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
InChI:
InChI=1S/C8H18O6/c9-1-7(13)2-14-6-8(3-10,4-11)5-12/h7,9-13H,1-6H2
InChI Key:
ISHCYDTTYAETJD-UHFFFAOYSA-N
SMILES:
OCC(COCC(CO)(CO)CO)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
210.226g/mol
Monoisotopic Mass:
210.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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