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Home > Aldehydes > 825613-03-4
825613-03-4 | [1,1'-Biphenyl]-3-carboxaldehyde, 4-hydroxy-5-methoxy-4'-methyl-
CAS No: 825613-03-4 Catalog No: AG005DX8 MDL No:
Product Description
Catalog Number:
AG005DX8
Chemical Name:
[1,1'-Biphenyl]-3-carboxaldehyde, 4-hydroxy-5-methoxy-4'-methyl-
CAS Number:
825613-03-4
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
2-hydroxy-3-methoxy-5-(4-methylphenyl)benzaldehyde
InChI:
InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)12-7-13(9-16)15(17)14(8-12)18-2/h3-9,17H,1-2H3
InChI Key:
WHINDHPAHJRWPF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)C=O)c1ccc(cc1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| {μ-6,6'-Dimeth-oxy-2,2'-[1,2-phenyl-ene-bis(nitrilo-methyl-idyne)]diphenolato}methano-lcopper(II)sodium(I). | Acta crystallographica. Section E, Structure reports online 20080501 |
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