Home Aldehydes benzothiophene-6-carbaldehyde

benzothiophene-6-carbaldehyde

CAS No.:
6386-80-7
Catalog Number:
AG00EKK5
Molecular Formula:
C9H6OS
Molecular Weight:
162.2083
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Product Description
Catalog Number:
AG00EKK5
Chemical Name:
benzothiophene-6-carbaldehyde
CAS Number:
6386-80-7
Molecular Formula:
C9H6OS
Molecular Weight:
162.2083
MDL Number:
MFCD18451824
IUPAC Name:
1-benzothiophene-6-carbaldehyde
InChI:
InChI=1S/C9H6OS/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-6H
InChI Key:
HOPOWIYNQUFRTR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)scc2
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:
2.4  
Properties