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178758-53-7

178758-53-7 | 2-Cyclopenten-1-one, 3-[4-(decyloxy)phenyl]-

CAS No: 178758-53-7 Catalog No: AG0026A5 MDL No:

Product Description

Catalog Number:
AG0026A5
Chemical Name:
2-Cyclopenten-1-one, 3-[4-(decyloxy)phenyl]-
CAS Number:
178758-53-7
Molecular Formula:
C21H30O2
Molecular Weight:
314.4617
IUPAC Name:
3-(4-decoxyphenyl)cyclopent-2-en-1-one
InChI:
InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-16-23-21-14-11-18(12-15-21)19-10-13-20(22)17-19/h11-12,14-15,17H,2-10,13,16H2,1H3
InChI Key:
OWYDHQNCFVZUIL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)C1=CC(=O)CC1

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.225g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.469g/mol
Monoisotopic Mass:
314.225g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  

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