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78448-33-6 | Propane, 2-methyl-1-(1-methylethoxy)-
CAS No: 78448-33-6 Catalog No: AG0053A0 MDL No:
Product Description
Catalog Number:
AG0053A0
Chemical Name:
Propane, 2-methyl-1-(1-methylethoxy)-
CAS Number:
78448-33-6
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
IUPAC Name:
2-methyl-1-propan-2-yloxypropane
InChI:
InChI=1S/C7H16O/c1-6(2)5-8-7(3)4/h6-7H,5H2,1-4H3
InChI Key:
HIIBZFKVMXEQMR-UHFFFAOYSA-N
SMILES:
CC(OCC(C)C)C
Properties
Complexity:
48.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.12g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.204g/mol
Monoisotopic Mass:
116.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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