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89816-57-9 | Benzo[b]thiophene, 7-methyl-2-(2-propenyl)-
CAS No: 89816-57-9 Catalog No: AG003Z6P MDL No:
Product Description
Catalog Number:
AG003Z6P
Chemical Name:
Benzo[b]thiophene, 7-methyl-2-(2-propenyl)-
CAS Number:
89816-57-9
Molecular Formula:
C12H12S
Molecular Weight:
188.2887
IUPAC Name:
7-methyl-2-prop-2-enyl-1-benzothiophene
InChI:
InChI=1S/C12H12S/c1-3-5-11-8-10-7-4-6-9(2)12(10)13-11/h3-4,6-8H,1,5H2,2H3
InChI Key:
SNELEVVDPVNLFQ-UHFFFAOYSA-N
SMILES:
C=CCc1cc2c(s1)c(C)ccc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.288g/mol
Monoisotopic Mass:
188.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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