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84696-82-2 | Nonanoic acid,3-ethyl-3-hydroxy-2-methyl-, ethyl ester
CAS No: 84696-82-2 Catalog No: AG004SNR MDL No:
Product Description
Catalog Number:
AG004SNR
Chemical Name:
Nonanoic acid,3-ethyl-3-hydroxy-2-methyl-, ethyl ester
CAS Number:
84696-82-2
Molecular Formula:
C14H28O3
Molecular Weight:
244.3703
IUPAC Name:
ethyl 3-ethyl-3-hydroxy-2-methylnonanoate
InChI:
InChI=1S/C14H28O3/c1-5-8-9-10-11-14(16,6-2)12(4)13(15)17-7-3/h12,16H,5-11H2,1-4H3
InChI Key:
OYUIXKXWTCGKRH-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(C(=O)OCC)C)(CC)O
EC Number:
283-689-2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.204g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.375g/mol
Monoisotopic Mass:
244.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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