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

1-Octanone, 1-(2-thienyl)-

CAS No.:
30711-41-2
Catalog Number:
AG00311N
Molecular Formula:
C12H18OS
Molecular Weight:
210.3357
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Product Description
Catalog Number:
AG00311N
Chemical Name:
1-Octanone, 1-(2-thienyl)-
CAS Number:
30711-41-2
Molecular Formula:
C12H18OS
Molecular Weight:
210.3357
MDL Number:
MFCD00053146
IUPAC Name:
1-thiophen-2-yloctan-1-one
InChI:
InChI=1S/C12H18OS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
InChI Key:
QRJZCQOLJVIBDE-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1cccs1
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.108g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.335g/mol
Monoisotopic Mass:
210.108g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties