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150196-31-9 | 1,3-Propanediol, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 150196-31-9 Catalog No: AG001MEF MDL No:
Product Description
Catalog Number:
AG001MEF
Chemical Name:
1,3-Propanediol, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
150196-31-9
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
IUPAC Name:
2-(oxan-2-yloxy)propane-1,3-diol
InChI:
InChI=1S/C8H16O4/c9-5-7(6-10)12-8-3-1-2-4-11-8/h7-10H,1-6H2
InChI Key:
MAFDEANKQYPHFZ-UHFFFAOYSA-N
SMILES:
OCC(OC1CCCCO1)CO
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.212g/mol
Monoisotopic Mass:
176.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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