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210528-98-6 | Propane, 1,3-dimethoxy-2-methyl-
CAS No: 210528-98-6 Catalog No: AG002KU0 MDL No:
Product Description
Catalog Number:
AG002KU0
Chemical Name:
Propane, 1,3-dimethoxy-2-methyl-
CAS Number:
210528-98-6
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
IUPAC Name:
1,3-dimethoxy-2-methylpropane
InChI:
InChI=1S/C6H14O2/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3
InChI Key:
HOQQNQIKEFTTKA-UHFFFAOYSA-N
SMILES:
COCC(COC)C
Properties
Complexity:
39.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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