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100799-16-4 | Heptane, 1-[2-(2-methylpropoxy)ethoxy]-
CAS No: 100799-16-4 Catalog No: AG0002W4 MDL No:
Product Description
Catalog Number:
AG0002W4
Chemical Name:
Heptane, 1-[2-(2-methylpropoxy)ethoxy]-
CAS Number:
100799-16-4
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
1-[2-(2-methylpropoxy)ethoxy]heptane
InChI:
InChI=1S/C13H28O2/c1-4-5-6-7-8-9-14-10-11-15-12-13(2)3/h13H,4-12H2,1-3H3
InChI Key:
VTRNOKNNLOFSPT-UHFFFAOYSA-N
SMILES:
CCCCCCCOCCOCC(C)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.209g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.365g/mol
Monoisotopic Mass:
216.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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