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Home > Aldehydes > 199339-71-4
199339-71-4 | Benzo[b]thiophene-7-carboxaldehyde, 4-hydroxy-
CAS No: 199339-71-4 Catalog No: AG002C2R MDL No:
Product Description
Catalog Number:
AG002C2R
Chemical Name:
Benzo[b]thiophene-7-carboxaldehyde, 4-hydroxy-
CAS Number:
199339-71-4
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
IUPAC Name:
4-hydroxy-1-benzothiophene-7-carbaldehyde
InChI:
InChI=1S/C9H6O2S/c10-5-6-1-2-8(11)7-3-4-12-9(6)7/h1-5,11H
InChI Key:
JXQGDDMZTWHASG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1scc2)O
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
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