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Home Aldehydes Benzeneacetaldehyde, 3,4,5-trimethoxy-α-oxo-

Benzeneacetaldehyde, 3,4,5-trimethoxy-α-oxo-

CAS No.:
150114-69-5
Catalog Number:
AG001MCL
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
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Product Description
Catalog Number:
AG001MCL
Chemical Name:
Benzeneacetaldehyde, 3,4,5-trimethoxy-α-oxo-
CAS Number:
150114-69-5
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
MDL Number:
MFCD05664097
IUPAC Name:
2-oxo-2-(3,4,5-trimethoxyphenyl)acetaldehyde;hydrate
InChI:
InChI=1S/C11H12O5.H2O/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3;/h4-6H,1-3H3;1H2
InChI Key:
WNXCGXWGPPAKFM-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.227g/mol
Monoisotopic Mass:
242.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties