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Home > Aldehydes > 183303-81-3
183303-81-3 | Benzaldehyde, 4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-
CAS No: 183303-81-3 Catalog No: AG0027H4 MDL No:
Product Description
Catalog Number:
AG0027H4
Chemical Name:
Benzaldehyde, 4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-
CAS Number:
183303-81-3
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
IUPAC Name:
4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]benzaldehyde
InChI:
InChI=1S/C17H18O5/c1-20-16-8-5-13(9-17(16)21-2)15(19)11-22-14-6-3-12(10-18)4-7-14/h3-10,15,19H,11H2,1-2H3
InChI Key:
RMFQBPIKKOPFPM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCC(c1ccc(c(c1)OC)OC)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.326g/mol
Monoisotopic Mass:
302.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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