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161838-89-7 | 1,3-Dioxolane-2-ethanol, 2-heptyl-
CAS No: 161838-89-7 Catalog No: AG001VXM MDL No:
Product Description
Catalog Number:
AG001VXM
Chemical Name:
1,3-Dioxolane-2-ethanol, 2-heptyl-
CAS Number:
161838-89-7
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
2-(2-heptyl-1,3-dioxolan-2-yl)ethanol
InChI:
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-12(8-9-13)14-10-11-15-12/h13H,2-11H2,1H3
InChI Key:
GDBXOEXCGUPJTQ-UHFFFAOYSA-N
SMILES:
CCCCCCCC1(CCO)OCCO1
Properties
Complexity:
153
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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