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27751-82-2 | Benzo[b]thiophene-2-carboxaldehyde, 3-hydroxy-
CAS No: 27751-82-2 Catalog No: AG002UO8 MDL No:
Product Description
Catalog Number:
AG002UO8
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde, 3-hydroxy-
CAS Number:
27751-82-2
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
IUPAC Name:
3-hydroxy-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C9H6O2S/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-5,11H
InChI Key:
FKDSQVIMAMXYDT-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1O)cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.205g/mol
Monoisotopic Mass:
178.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| The EmhABC efflux pump decreases the efficiency of phenanthrene biodegradation by Pseudomonas fluorescens strain LP6a. | Applied microbiology and biotechnology 20120801 |
| Bacterial degradation of aromatic compounds. | International journal of environmental research and public health 20090101 |
| Organization and evolution of naphthalene catabolic pathways: sequence of the DNA encoding 2-hydroxychromene-2-carboxylate isomerase and trans-o-hydroxybenzylidenepyruvate hydratase-aldolase from the NAH7 plasmid. | Journal of bacteriology 19941201 |
| Mineralization of the dibenzothiophene biodegradation products 3-hydroxy-2-formyl benzothiophene and dibenzothiophene sulfone. | Applied and environmental microbiology 19881201 |
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