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100887-06-7 | Benzo[b]thiophene, 3-(1-cyclohexen-1-yl)-
CAS No: 100887-06-7 Catalog No: AG000348 MDL No:
Product Description
Catalog Number:
AG000348
Chemical Name:
Benzo[b]thiophene, 3-(1-cyclohexen-1-yl)-
CAS Number:
100887-06-7
Molecular Formula:
C14H14S
Molecular Weight:
214.3260
IUPAC Name:
3-(cyclohexen-1-yl)-1-benzothiophene
InChI:
InChI=1S/C14H14S/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h4-6,8-10H,1-3,7H2
InChI Key:
MDZXESLJYSSYDA-UHFFFAOYSA-N
SMILES:
C1CCC(=CC1)c1csc2c1cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.326g/mol
Monoisotopic Mass:
214.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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