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84434-60-6 | 4-Tridecanone,2,8,12-trimethyl-
CAS No: 84434-60-6 Catalog No: AG004SJC MDL No:
Product Description
Catalog Number:
AG004SJC
Chemical Name:
4-Tridecanone,2,8,12-trimethyl-
CAS Number:
84434-60-6
Molecular Formula:
C16H32O
Molecular Weight:
240.4247
IUPAC Name:
2,8,12-trimethyltridecan-4-one
InChI:
InChI=1S/C16H32O/c1-13(2)8-6-9-15(5)10-7-11-16(17)12-14(3)4/h13-15H,6-12H2,1-5H3
InChI Key:
RRMNNKKAJPGDCK-UHFFFAOYSA-N
SMILES:
CC(CCCC(=O)CC(C)C)CCCC(C)C
EC Number:
282-860-9
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.245g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.431g/mol
Monoisotopic Mass:
240.245g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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