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7402-39-3

7402-39-3 | 2-(4-methoxybenzoyl)cyclohexanone

CAS No: 7402-39-3 Catalog No: AG005A1S MDL No:

Product Description

Catalog Number:
AG005A1S
Chemical Name:
2-(4-methoxybenzoyl)cyclohexanone
CAS Number:
7402-39-3
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
2-(4-methoxybenzoyl)cyclohexan-1-one
InChI:
InChI=1S/C14H16O3/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h6-9,12H,2-5H2,1H3
InChI Key:
SYMNQDJTFGCPSF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C1CCCCC1=O
NSC Number:
55312

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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