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1388033-29-1 | Benzo[b]thiophene, 7-methoxy-5-methyl-
CAS No: 1388033-29-1 Catalog No: AG0019LI MDL No:MFCD22560460
Product Description
Catalog Number:
AG0019LI
Chemical Name:
Benzo[b]thiophene, 7-methoxy-5-methyl-
CAS Number:
1388033-29-1
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
MDL Number:
MFCD22560460
IUPAC Name:
7-methoxy-5-methyl-1-benzothiophene
InChI:
InChI=1S/C10H10OS/c1-7-5-8-3-4-12-10(8)9(6-7)11-2/h3-6H,1-2H3
InChI Key:
FMAMOHQHNNUMQJ-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc2c1scc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.249g/mol
Monoisotopic Mass:
178.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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