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2092-49-1 | [1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
CAS No: 2092-49-1 Catalog No: AG002K3R MDL No:MFCD00156888
Product Description
Catalog Number:
AG002K3R
Chemical Name:
[1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
CAS Number:
2092-49-1
Molecular Formula:
C16H14O6
Molecular Weight:
302.2788
MDL Number:
MFCD00156888
IUPAC Name:
3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C16H14O6/c1-21-13-5-9(7-17)3-11(15(13)19)12-4-10(8-18)6-14(22-2)16(12)20/h3-8,19-20H,1-2H3
InChI Key:
NSTQUZVZBUTVPY-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1O)c1cc(C=O)cc(c1O)OC
UNII:
29PYY1H4BT
NSC Number:
16723
FEMA Number:
4107
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.282g/mol
Monoisotopic Mass:
302.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Development of novel antiatherogenic biaryls: design, synthesis, and reactivity. | Journal of medicinal chemistry 20080612 |
| Characterization of the 5-carboxyvanillate decarboxylase gene and its role in lignin-related biphenyl catabolism in Sphingomonas paucimobilis SYK-6. | Applied and environmental microbiology 20020901 |
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