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Home > Aldehydes > 1388061-05-9
1388061-05-9 | 7-methoxy-5-methylbenzo[b]thiophene-3-carbaldehyde
CAS No: 1388061-05-9 Catalog No: AG00A05J MDL No:
Product Description
Catalog Number:
AG00A05J
Chemical Name:
7-methoxy-5-methylbenzo[b]thiophene-3-carbaldehyde
CAS Number:
1388061-05-9
Molecular Formula:
C11H10O2S
Molecular Weight:
206.2609
IUPAC Name:
7-methoxy-5-methyl-1-benzothiophene-3-carbaldehyde
InChI:
InChI=1S/C11H10O2S/c1-7-3-9-8(5-12)6-14-11(9)10(4-7)13-2/h3-6H,1-2H3
InChI Key:
ITFADPLFMOWEOX-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc2c1scc2C=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.259g/mol
Monoisotopic Mass:
206.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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