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113529-95-6 | Benzo[b]thiophenecarbonitrile, 4,5,6,7-tetrahydro- (9CI)
CAS No: 113529-95-6 Catalog No: AG0008XG MDL No:
Product Description
Catalog Number:
AG0008XG
Chemical Name:
Benzo[b]thiophenecarbonitrile, 4,5,6,7-tetrahydro- (9CI)
CAS Number:
113529-95-6
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
IUPAC Name:
4,5,6,7-tetrahydro-1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H9NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h5H,1-4H2
InChI Key:
IOQNRXMIUGPZRP-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(s1)CCCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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