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27993-70-0 | 2-(2-Methoxyphenyl)-2-oxoacetaldehyde
CAS No: 27993-70-0 Catalog No: AG003HKI MDL No:
Product Description
Catalog Number:
AG003HKI
Chemical Name:
2-(2-Methoxyphenyl)-2-oxoacetaldehyde
CAS Number:
27993-70-0
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
2-(2-methoxyphenyl)-2-oxoacetaldehyde
InChI:
InChI=1S/C9H8O3/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-6H,1H3
InChI Key:
FOEJETVWOFOEDE-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccccc1OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Rational design of inhibitors of VirA-VirG two-component signal transduction. | Bioorganic & medicinal chemistry letters 20070615 |
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