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13482-23-0

13482-23-0 | 4-Methoxycyclohexanon

CAS No: 13482-23-0 Catalog No: AG00384G MDL No:MFCD01110115

Product Description

Catalog Number:
AG00384G
Chemical Name:
4-Methoxycyclohexanon
CAS Number:
13482-23-0
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD01110115
IUPAC Name:
4-methoxycyclohexan-1-one
InChI:
InChI=1S/C7H12O2/c1-9-7-4-2-6(8)3-5-7/h7H,2-5H2,1H3
InChI Key:
XADCKKKOYZJNAR-UHFFFAOYSA-N
SMILES:
COC1CCC(=O)CC1
EC Number:
480-410-8

Properties

Complexity:
99.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Literature

Title Journal
Designing new Baeyer-Villiger monooxygenases using restricted CASTing. The Journal of organic chemistry 20061027

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