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Home Aldehydes 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde

2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde

CAS No.:
1205-17-0
Catalog Number:
AG0075YE
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$33
- +
25g
98%
In Stock USA
United States
$40
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$158
- +
Product Description
Catalog Number:
AG0075YE
Chemical Name:
2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde
CAS Number:
1205-17-0
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00067053
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-2-methylpropanal
InChI:
InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3
InChI Key:
BOPPSUHPZARXTH-UHFFFAOYSA-N
SMILES:
O=CC(Cc1ccc2c(c1)OCO2)C
EC Number:
214-881-6
NSC Number:
22282
FEMA Number:
4599
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:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
In vitro penetration and subchronic toxicity of alpha-methyl-1,3-benzodioxole-5-propionaldehyde. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070501
Evaluation of the developmental toxicity of alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde in rats. International journal of toxicology 20060101
Identification of specific ligands for orphan olfactory receptors. G protein-dependent agonism and antagonism of odorants. The Journal of biological chemistry 20050325
Properties