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10133-30-9 | Benzo[b]thiophene-5-carbaldehyde
CAS No: 10133-30-9 Catalog No: AG00048T MDL No:MFCD05663673
Product Description
Catalog Number:
AG00048T
Chemical Name:
Benzo[b]thiophene-5-carbaldehyde
CAS Number:
10133-30-9
Molecular Formula:
C9H6OS
Molecular Weight:
162.2083
MDL Number:
MFCD05663673
IUPAC Name:
1-benzothiophene-5-carbaldehyde
InChI:
InChI=1S/C9H6OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
InChI Key:
QHHRWAPVYHRAJA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)ccs2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.206g/mol
Monoisotopic Mass:
162.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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