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Home > Aldehydes > 144279-87-8
144279-87-8 | Benzaldehyde, 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-methoxy-
CAS No: 144279-87-8 Catalog No: AG001J8E MDL No:
Product Description
Catalog Number:
AG001J8E
Chemical Name:
Benzaldehyde, 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-methoxy-
CAS Number:
144279-87-8
Molecular Formula:
C18H20O5
Molecular Weight:
316.3484
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-methoxybenzaldehyde
InChI:
InChI=1S/C18H20O5/c1-21-16-6-4-12(11-19)8-14(16)9-15(20)13-5-7-17(22-2)18(10-13)23-3/h4-8,10-11,15,20H,9H2,1-3H3
InChI Key:
GBXSCYIVZFHTIF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)CC(c1ccc(c(c1)OC)OC)O)OC
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.353g/mol
Monoisotopic Mass:
316.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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