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Home Other Building Blocks 5-Methylcyclohexane-1,3-dione

5-Methylcyclohexane-1,3-dione

CAS No.:
4341-24-6
Catalog Number:
AG003791
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$94
- +
100g
98%
In Stock USA
United States
$300
- +
500g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG003791
Chemical Name:
5-Methylcyclohexane-1,3-dione
CAS Number:
4341-24-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00010379
IUPAC Name:
5-methylcyclohexane-1,3-dione
InChI:
InChI=1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3
InChI Key:
DMIIMPQQPXUKOO-UHFFFAOYSA-N
SMILES:
CC1CC(=O)CC(=O)C1
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
3-(4-Chloro-anilino)-2,5-dimethyl-cyclo-hex-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20110501
2,5-Dimethyl-3-[4-(trifluoro-meth-oxy)anilino]-cyclo-hex-2-enone. Acta crystallographica. Section E, Structure reports online 20110301
Total synthesis of (-)-lycoperine A. Organic letters 20100101
Properties