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30711-40-1 | 1-Heptanone, 1-(2-thienyl)-
CAS No: 30711-40-1 Catalog No: AG00311O MDL No:MFCD00052588
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
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