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Home Other Building Blocks 2-METHYL-3-PENTANONE

2-METHYL-3-PENTANONE

CAS No.:
565-69-5
Catalog Number:
AG00E96K
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$123
- +
5g
1 week
United States
$277
- +
10g
1 week
United States
$478
- +
25g
1 week
United States
$892
- +
Product Description
Catalog Number:
AG00E96K
Chemical Name:
2-METHYL-3-PENTANONE
CAS Number:
565-69-5
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00009314
IUPAC Name:
2-methylpentan-3-one
InChI:
InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
InChI Key:
HYTRYEXINDDXJK-UHFFFAOYSA-N
SMILES:
CCC(=O)C(C)C
EC Number:
209-288-4
UNII:
0R392X5X26
Properties
Complexity:
64.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Thermochemistry and bond dissociation energies of ketones. The journal of physical chemistry. A 20120614
Charge separation distance for flexible donor-bridge-acceptor systems after electron-transfer quenching. The journal of physical chemistry. A 20080821
Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions. The Journal of organic chemistry 20051111
Properties