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Home > Aldehydes > 831222-91-4
831222-91-4 | Benzo[b]thiophene-6-carboxaldehyde, 4-methoxy-
CAS No: 831222-91-4 Catalog No: AG00512H MDL No:
Product Description
Catalog Number:
AG00512H
Chemical Name:
Benzo[b]thiophene-6-carboxaldehyde, 4-methoxy-
CAS Number:
831222-91-4
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
IUPAC Name:
4-methoxy-1-benzothiophene-6-carbaldehyde
InChI:
InChI=1S/C10H8O2S/c1-12-9-4-7(6-11)5-10-8(9)2-3-13-10/h2-6H,1H3
InChI Key:
IMFMXXUTPQYCFA-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc2c1ccs2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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