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16387-18-1 | Propanoic acid, 2,2-dimethyl-, 2-ethylhexyl ester
CAS No: 16387-18-1 Catalog No: AG001UH2 MDL No:
Product Description
Catalog Number:
AG001UH2
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-ethylhexyl ester
CAS Number:
16387-18-1
Molecular Formula:
C13H26O2
Molecular Weight:
214.3443
IUPAC Name:
2-ethylhexyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C13H26O2/c1-6-8-9-11(7-2)10-15-12(14)13(3,4)5/h11H,6-10H2,1-5H3
InChI Key:
DGGIWFWLKMKNQZ-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)C(C)(C)C)CC
EC Number:
240-437-6
Properties
Complexity:
180
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:
4.6
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