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83704-03-4 | 3-[(1,1-Dimethylethoxy)methyl]heptane
CAS No: 83704-03-4 Catalog No: AG0036HP MDL No:
Product Description
Catalog Number:
AG0036HP
Chemical Name:
3-[(1,1-Dimethylethoxy)methyl]heptane
CAS Number:
83704-03-4
Molecular Formula:
C12H26O
Molecular Weight:
186.3342
IUPAC Name:
3-[(2-methylpropan-2-yl)oxymethyl]heptane
InChI:
InChI=1S/C12H26O/c1-6-8-9-11(7-2)10-13-12(3,4)5/h11H,6-10H2,1-5H3
InChI Key:
JATPQYIRMHQKTK-UHFFFAOYSA-N
SMILES:
CCCCC(COC(C)(C)C)CC
EC Number:
280-522-5
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.198g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.339g/mol
Monoisotopic Mass:
186.198g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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