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1008-57-7 | Benzo[b]thiophene, 3,4,7-trimethyl-
CAS No: 1008-57-7 Catalog No: AG0002XG MDL No:
Product Description
Catalog Number:
AG0002XG
Chemical Name:
Benzo[b]thiophene, 3,4,7-trimethyl-
CAS Number:
1008-57-7
Molecular Formula:
C11H12S
Molecular Weight:
176.2780
IUPAC Name:
3,4,7-trimethyl-1-benzothiophene
InChI:
InChI=1S/C11H12S/c1-7-4-5-8(2)11-10(7)9(3)6-12-11/h4-6H,1-3H3
InChI Key:
SIEUMLZKDAPQPC-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1c(C)cs2)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.277g/mol
Monoisotopic Mass:
176.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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