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89355-15-7 | 4-Tridecanone, 5-butyl-
CAS No: 89355-15-7 Catalog No: AG003Z85 MDL No:
Product Description
Catalog Number:
AG003Z85
Chemical Name:
4-Tridecanone, 5-butyl-
CAS Number:
89355-15-7
Molecular Formula:
C17H34O
Molecular Weight:
254.4513
IUPAC Name:
5-butyltridecan-4-one
InChI:
InChI=1S/C17H34O/c1-4-7-9-10-11-12-15-16(14-8-5-2)17(18)13-6-3/h16H,4-15H2,1-3H3
InChI Key:
ITRQUUREUAPPIU-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)CCC)CCCC
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.261g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.458g/mol
Monoisotopic Mass:
254.261g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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