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113495-24-2 | 1,3-Propanediol, 1-(5,6-dihydro-2H-pyran-3-yl)-
CAS No: 113495-24-2 Catalog No: AG0008RL MDL No:
Product Description
Catalog Number:
AG0008RL
Chemical Name:
1,3-Propanediol, 1-(5,6-dihydro-2H-pyran-3-yl)-
CAS Number:
113495-24-2
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
1-(3,6-dihydro-2H-pyran-5-yl)propane-1,3-diol
InChI:
InChI=1S/C8H14O3/c9-4-3-8(10)7-2-1-5-11-6-7/h2,8-10H,1,3-6H2
InChI Key:
RWPKJEWXQJRFLH-UHFFFAOYSA-N
SMILES:
OC(C1=CCCOC1)CCO
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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