Home Aldehydes 2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate

2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate

CAS No.:
952-17-0
Catalog Number:
AG00667Q
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00667Q
Chemical Name:
2-(3,4-Diethoxyphenyl)-2-oxoacetaldehyde hydrate
CAS Number:
952-17-0
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
MDL Number:
MFCD09864621
IUPAC Name:
2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C12H14O4.H2O/c1-3-15-11-6-5-9(10(14)8-13)7-12(11)16-4-2;/h5-8H,3-4H2,1-2H3;1H2
InChI Key:
HDOWHRYYLNDROT-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)C(=O)C=O.O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties