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89185-86-4 | 2-Tridecanone, 5-hexyl-
CAS No: 89185-86-4 Catalog No: AG003W0C MDL No:
Product Description
Catalog Number:
AG003W0C
Chemical Name:
2-Tridecanone, 5-hexyl-
CAS Number:
89185-86-4
Molecular Formula:
C19H38O
Molecular Weight:
282.5044
IUPAC Name:
5-hexyltridecan-2-one
InChI:
InChI=1S/C19H38O/c1-4-6-8-10-11-13-15-19(17-16-18(3)20)14-12-9-7-5-2/h19H,4-17H2,1-3H3
InChI Key:
SBGWJJLDTIQEEB-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CCC(=O)C)CCCCCC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.292g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.512g/mol
Monoisotopic Mass:
282.292g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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