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89756-87-6

89756-87-6 | Cyclohexanone, 2-(2,3-dimethoxyphenyl)-

CAS No: 89756-87-6 Catalog No: AG0040Z1 MDL No:

Product Description

Catalog Number:
AG0040Z1
Chemical Name:
Cyclohexanone, 2-(2,3-dimethoxyphenyl)-
CAS Number:
89756-87-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
2-(2,3-dimethoxyphenyl)cyclohexan-1-one
InChI:
InChI=1S/C14H18O3/c1-16-13-9-5-7-11(14(13)17-2)10-6-3-4-8-12(10)15/h5,7,9-10H,3-4,6,8H2,1-2H3
InChI Key:
WAOTZOVPGYFGBU-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1C1CCCCC1=O

Properties

Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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