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81036-11-5 | 1-Heptanol, 7-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 81036-11-5 Catalog No: AG0056GB MDL No:
Product Description
Catalog Number:
AG0056GB
Chemical Name:
1-Heptanol, 7-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
81036-11-5
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
7-(oxan-2-yloxy)heptan-1-ol
InChI:
InChI=1S/C12H24O3/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12-13H,1-11H2
InChI Key:
FFJDLFLMOAJWAY-UHFFFAOYSA-N
SMILES:
OCCCCCCCOC1CCCCO1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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