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87327-82-0 | Nonanoic acid, 1-[(1,1-dimethylethyl)dioxy]ethyl ester
CAS No: 87327-82-0 Catalog No: AG004L1Z MDL No:
Product Description
Catalog Number:
AG004L1Z
Chemical Name:
Nonanoic acid, 1-[(1,1-dimethylethyl)dioxy]ethyl ester
CAS Number:
87327-82-0
Molecular Formula:
C15H30O4
Molecular Weight:
274.3963
IUPAC Name:
1-tert-butylperoxyethyl nonanoate
InChI:
InChI=1S/C15H30O4/c1-6-7-8-9-10-11-12-14(16)17-13(2)18-19-15(3,4)5/h13H,6-12H2,1-5H3
InChI Key:
QKZOGKYJKRDQNU-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OC(OOC(C)(C)C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.214g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.401g/mol
Monoisotopic Mass:
274.214g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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