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Home Other Building Blocks 1-Phenyl-2-butanone

1-Phenyl-2-butanone

CAS No.:
1007-32-5
Catalog Number:
AG0002NI
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$125
- +
10g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$350
- +
100g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0002NI
Chemical Name:
1-Phenyl-2-butanone
CAS Number:
1007-32-5
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD00009315
IUPAC Name:
1-phenylbutan-2-one
InChI:
InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
GKDLTXYXODKDEA-UHFFFAOYSA-N
SMILES:
CCC(=O)Cc1ccccc1
EC Number:
213-752-1
UNII:
1AKG6904VP
NSC Number:
133447
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
The role of aromatic interactions in the structure and energetics of benzyl ketones. Physical chemistry chemical physics : PCCP 20101007
Defensive secretions in three species of polydesmids (Diplopoda, Polydesmida, Polydesmidae). Journal of chemical ecology 20100901
(E)-1-Phenyl-butan-2-one (2,4-dinitro-phen-yl)hydrazone. Acta crystallographica. Section E, Structure reports online 20091101
Properties