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Home > Aldehydes > 1021916-91-5
1021916-91-5 | 4-hydroxy-1-benzothiophene-6-carbaldehyde
CAS No: 1021916-91-5 Catalog No: AG01ABRX MDL No:MFCD22065776
Product Description
Catalog Number:
AG01ABRX
Chemical Name:
4-hydroxy-1-benzothiophene-6-carbaldehyde
CAS Number:
1021916-91-5
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
MDL Number:
MFCD22065776
IUPAC Name:
4-hydroxy-1-benzothiophene-6-carbaldehyde
InChI:
InChI=1S/C9H6O2S/c10-5-6-3-8(11)7-1-2-12-9(7)4-6/h1-5,11H
InChI Key:
IMLDVUYKYMDLCH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c2c(c1)scc2
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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