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84878-25-1 | DECYL ISOOCTANOATE
CAS No: 84878-25-1 Catalog No: AG004MFB MDL No:
Product Description
Catalog Number:
AG004MFB
Chemical Name:
DECYL ISOOCTANOATE
CAS Number:
84878-25-1
Molecular Formula:
C18H36O2
Molecular Weight:
284.4772
IUPAC Name:
decyl 6-methylheptanoate
InChI:
InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-13-16-20-18(19)15-12-11-14-17(2)3/h17H,4-16H2,1-3H3
InChI Key:
YHQKHWWCZACCST-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)CCCCC(C)C
EC Number:
284-415-4
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.272g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.484g/mol
Monoisotopic Mass:
284.272g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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