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Home Other Building Blocks 2-ISOVALERYL-1,3-INDANEDIONE

2-ISOVALERYL-1,3-INDANEDIONE

CAS No.:
83-28-3
Catalog Number:
AG00G2WG
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
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Product Description
Catalog Number:
AG00G2WG
Chemical Name:
2-ISOVALERYL-1,3-INDANEDIONE
CAS Number:
83-28-3
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
MDL Number:
MFCD00072451
IUPAC Name:
2-(3-methylbutanoyl)indene-1,3-dione
InChI:
InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3
InChI Key:
PVWMAOPFDINGAY-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C1C(=O)c2c(C1=O)cccc2)C
EC Number:
201-464-9
UNII:
2V8VCY004E
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Current and emerging treatment options for castration-resistant prostate cancer: a focus on immunotherapy. Journal of clinical immunology 20120201
Vicarious reinforcement in rhesus macaques (macaca mulatta). Frontiers in neuroscience 20110101
[Rapid qualitative analysis of indandione rodenticides by high-performance liquid chromatography coupled with ion trap mass spectrometry]. Wei sheng yan jiu = Journal of hygiene research 20100901
Does the cortisol response to stress mediate the link between expressed emotion and oppositional behavior in Attention-Deficit/Hyperactivity-Disorder (ADHD)? Behavioral and brain functions : BBF 20100101
An assay for identification and determination of toxic rodenticide valone in serum by ion chromatography-electrospray ionization tandem mass spectrometry with ion trap detector. Talanta 20090415
Rapid identification and determination of the rodenticide valone in serum by high-performance liquid chromatography-tandem mass spectrometry. Journal of analytical toxicology 20090301
Simultaneous measurement of indandione-type rodenticides in human serum by liquid chromatography-electrospray ionization- tandem mass spectrometry. Journal of analytical toxicology 20090101
Analysis of indandione anticoagulant rodenticides in animal liver by eluent generator reagent free ion chromatography coupled with electrospray mass spectrometry. Journal of chromatography. A 20081205
Whole-cell cancer vaccination: from autologous to allogeneic tumor- and dendritic cell-based vaccines. Cancer immunology, immunotherapy : CII 20081001
When to use social information: the advantage of large group size in individual decision making. Biology letters 20070422
Perceptual organization in first episode schizophrenia and ultra-high-risk states. Schizophrenia research 20060301
Effects of social and physical enrichment on open field activity differ in male and female Sprague-Dawley rats. Behavioural brain research 20051207
Properties