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99886-27-8 | 2,6-DIMETHYL-2-OCTYL PROPIONATE
CAS No: 99886-27-8 Catalog No: AG003W6J MDL No:
Product Description
Catalog Number:
AG003W6J
Chemical Name:
2,6-DIMETHYL-2-OCTYL PROPIONATE
CAS Number:
99886-27-8
Molecular Formula:
C13H26O2
Molecular Weight:
214.3443
IUPAC Name:
2,6-dimethyloctan-2-yl propanoate
InChI:
InChI=1S/C13H26O2/c1-6-11(3)9-8-10-13(4,5)15-12(14)7-2/h11H,6-10H2,1-5H3
InChI Key:
UXAGANHTCDZALK-UHFFFAOYSA-N
SMILES:
CCC(CCCC(OC(=O)CC)(C)C)C
EC Number:
309-074-1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.193g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.349g/mol
Monoisotopic Mass:
214.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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