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Home Aldehydes 2-methyl-3-phenylpropionaldehyde

2-methyl-3-phenylpropionaldehyde

CAS No.:
5445-77-2
Catalog Number:
AG00DJVL
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DJVL
Chemical Name:
2-methyl-3-phenylpropionaldehyde
CAS Number:
5445-77-2
MDL Number:
MFCD00072223
IUPAC Name:
2-methyl-3-phenylpropanal
InChI:
InChI=1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChI Key:
HEPHYCJJLAUKSB-UHFFFAOYSA-N
EC Number:
226-654-9
NSC Number:
22266
Properties
Complexity:
114  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Antimicrobial activity of the essential oil obtained from roots and chemical composition of the volatile constituents from the roots, stems, and leaves of Ballota nigra from Serbia. Journal of medicinal food 20090401
Identification of a potent and stable antiproliferative agent by the prodrug formation of a thiolate histone deacetylase inhibitor. Bioorganic & medicinal chemistry letters 20070315
Use of gas chromatography-mass spectrometry combined with resolution methods to characterize the essential oil components of Iranian cumin and caraway. Journal of chromatography. A 20070302
Properties