Home Nitriles 3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile

3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile

CAS No.:
1019385-55-7
Catalog Number:
AG01C5LH
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
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Product Description
Catalog Number:
AG01C5LH
Chemical Name:
3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile
CAS Number:
1019385-55-7
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
MDL Number:
MFCD11130328
IUPAC Name:
3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile
InChI:
InChI=1S/C11H11NOS/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h7H,1-5H2
InChI Key:
ZGCZNMNJWCFVBP-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cc2c(s1)CCCC2
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties