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27610-92-0 | Octanoic acid, 2-butyl-
CAS No: 27610-92-0 Catalog No: AG002U8D MDL No:
Product Description
Catalog Number:
AG002U8D
Chemical Name:
Octanoic acid, 2-butyl-
CAS Number:
27610-92-0
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
2-butyloctanoic acid
InChI:
InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
InChI Key:
OARDBPIZDHVTCK-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)O)CCCC
EC Number:
248-570-1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Synthesis and physical properties of estolide ester using saturated Fatty Acid and ricinoleic Acid. | Journal of automated methods & management in chemistry 20110101 |
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