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113480-04-9 | Cyclohexanone, 5-(4-butoxyphenyl)-2-pentyl-, trans- (9CI)
CAS No: 113480-04-9 Catalog No: AG0008QC MDL No:
Product Description
Catalog Number:
AG0008QC
Chemical Name:
Cyclohexanone, 5-(4-butoxyphenyl)-2-pentyl-, trans- (9CI)
CAS Number:
113480-04-9
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
IUPAC Name:
5-(4-butoxyphenyl)-2-pentylcyclohexan-1-one
InChI:
InChI=1S/C21H32O2/c1-3-5-7-8-18-9-10-19(16-21(18)22)17-11-13-20(14-12-17)23-15-6-4-2/h11-14,18-19H,3-10,15-16H2,1-2H3
InChI Key:
SAMJUGYONUBUDU-UHFFFAOYSA-N
SMILES:
CCCCC[C@H]1CC[C@@H](CC1=O)c1ccc(cc1)OCCCC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.24g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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