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87640-37-7 | 1-Nonanone, 2,2,3-trimethyl-1-phenyl-, (R)-
CAS No: 87640-37-7 Catalog No: AG004HJB MDL No:
Product Description
Catalog Number:
AG004HJB
Chemical Name:
1-Nonanone, 2,2,3-trimethyl-1-phenyl-, (R)-
CAS Number:
87640-37-7
Molecular Formula:
C18H28O
Molecular Weight:
260.4143
IUPAC Name:
(3R)-2,2,3-trimethyl-1-phenylnonan-1-one
InChI:
InChI=1S/C18H28O/c1-5-6-7-9-12-15(2)18(3,4)17(19)16-13-10-8-11-14-16/h8,10-11,13-15H,5-7,9,12H2,1-4H3/t15-/m1/s1
InChI Key:
VFIKFDKWBFYUDX-OAHLLOKOSA-N
SMILES:
CCCCCC[C@H](C(C(=O)c1ccccc1)(C)C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.214g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.421g/mol
Monoisotopic Mass:
260.214g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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