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72785-17-2 | 2-Octanol,2,6-dimethyl-, 2-formate
CAS No: 72785-17-2 Catalog No: AG005F0Q MDL No:
Product Description
Catalog Number:
AG005F0Q
Chemical Name:
2-Octanol,2,6-dimethyl-, 2-formate
CAS Number:
72785-17-2
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
IUPAC Name:
2,6-dimethyloctan-2-yl formate
InChI:
InChI=1S/C11H22O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h9-10H,5-8H2,1-4H3
InChI Key:
KQZSQDZXBHFWGC-UHFFFAOYSA-N
SMILES:
O=COC(CCCC(CC)C)(C)C
EC Number:
276-838-8
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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