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53119-25-8 | 1-(Thiophen-2-yl);pentan-1-one
CAS No: 53119-25-8 Catalog No: AG003ENV MDL No:MFCD00053149
Product Description
Catalog Number:
AG003ENV
Chemical Name:
1-(Thiophen-2-yl);pentan-1-one
CAS Number:
53119-25-8
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD00053149
IUPAC Name:
1-thiophen-2-ylpentan-1-one
InChI:
InChI=1S/C9H12OS/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3
InChI Key:
KJMPRCVRMAHTBR-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1cccs1
UNII:
X71Z1K8RAY
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| A flow-microreactor approach to protecting-group-free synthesis using organolithium compounds. | Nature communications 20110101 |
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