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Home > Aldehydes > 114475-84-2
114475-84-2 | Benzaldehyde, 6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2,3-dimethoxy-
CAS No: 114475-84-2 Catalog No: AG000EHE MDL No:
Product Description
Catalog Number:
AG000EHE
Chemical Name:
Benzaldehyde, 6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2,3-dimethoxy-
CAS Number:
114475-84-2
Molecular Formula:
C18H16O6
Molecular Weight:
328.3160
IUPAC Name:
6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2,3-dimethoxybenzaldehyde
InChI:
InChI=1S/C18H16O6/c1-21-16-6-3-11(13(9-19)18(16)22-2)7-14(20)12-4-5-15-17(8-12)24-10-23-15/h3-6,8-9H,7,10H2,1-2H3
InChI Key:
QQXZXDACCMQCTA-UHFFFAOYSA-N
SMILES:
O=Cc1c(ccc(c1OC)OC)CC(=O)c1ccc2c(c1)OCO2
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.32g/mol
Monoisotopic Mass:
328.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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