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26018-78-0 | Benzo[b]thiophene, 6-ethoxy-
CAS No: 26018-78-0 Catalog No: AG002RE6 MDL No:
Product Description
Catalog Number:
AG002RE6
Chemical Name:
Benzo[b]thiophene, 6-ethoxy-
CAS Number:
26018-78-0
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
IUPAC Name:
6-ethoxy-1-benzothiophene
InChI:
InChI=1S/C10H10OS/c1-2-11-9-4-3-8-5-6-12-10(8)7-9/h3-7H,2H2,1H3
InChI Key:
CTZIOFMIHKGJHZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)scc2
NSC Number:
108919
Properties
Complexity:
149
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:
2
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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