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123469-90-9 | Nonanoic acid, 9-bromo-2,2-dimethyl-, ethyl ester
CAS No: 123469-90-9 Catalog No: AG000KO4 MDL No:
Product Description
Catalog Number:
AG000KO4
Chemical Name:
Nonanoic acid, 9-bromo-2,2-dimethyl-, ethyl ester
CAS Number:
123469-90-9
Molecular Formula:
C13H25BrO2
Molecular Weight:
293.2404
IUPAC Name:
ethyl 9-bromo-2,2-dimethylnonanoate
InChI:
InChI=1S/C13H25BrO2/c1-4-16-12(15)13(2,3)10-8-6-5-7-9-11-14/h4-11H2,1-3H3
InChI Key:
JPPGPPDONOBYCC-UHFFFAOYSA-N
SMILES:
BrCCCCCCCC(C(=O)OCC)(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.245g/mol
Monoisotopic Mass:
292.104g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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