Home Other Building Blocks 1-Heptanone, 1-(2-thienyl)-

1-Heptanone, 1-(2-thienyl)-

CAS No.:
30711-40-1
Catalog Number:
AG00311O
Molecular Formula:
C11H16OS
Molecular Weight:
196.3091
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Product Description
Catalog Number:
AG00311O
Chemical Name:
1-Heptanone, 1-(2-thienyl)-
CAS Number:
30711-40-1
Molecular Formula:
C11H16OS
Molecular Weight:
196.3091
MDL Number:
MFCD00052588
IUPAC Name:
1-thiophen-2-ylheptan-1-one
InChI:
InChI=1S/C11H16OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
InChI Key:
BDNFJEMAAFFMFH-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)c1cccs1
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.092g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.308g/mol
Monoisotopic Mass:
196.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties