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Home Other Building Blocks 4-Benzoylbutyric acid

4-Benzoylbutyric acid

CAS No.:
1501-05-9
Catalog Number:
AG001MC7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$57
- +
10g
98%
In Stock USA
United States
$90
- +
25g
98%
In Stock USA
United States
$182
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG001MC7
Chemical Name:
4-Benzoylbutyric acid
CAS Number:
1501-05-9
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00004411
IUPAC Name:
5-oxo-5-phenylpentanoic acid
InChI:
InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChI Key:
SHKWSBAVRQZYLE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCCC(=O)O
EC Number:
216-113-5
UNII:
595CFD21KA
NSC Number:
10139
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Structure-activity relationship of butyrate analogues on apoptosis, proliferation and histone deacetylase activity in HCT-116 human colorectal cancer cells. Clinical and experimental pharmacology & physiology 20100901
Efficacy of butyrate analogues in HT-29 cancer cells. Clinical and experimental pharmacology & physiology 20100401
[Study on the degradation pathway of biphenyl by Rhodococcus pyridinovorans R04]. Wei sheng wu xue bao = Acta microbiologica Sinica 20031001
Degradation of biphenyl by Mycobacterium sp. strain PYR-1. Applied microbiology and biotechnology 20020301
Properties