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222554-30-5 | 4-Hexylthiophene-2-carbaldehyde
CAS No: 222554-30-5 Catalog No: AG00BIZC MDL No:MFCD18414651
Product Description
Catalog Number:
AG00BIZC
Chemical Name:
4-Hexylthiophene-2-carbaldehyde
CAS Number:
222554-30-5
Molecular Formula:
C11H16OS
Molecular Weight:
196.3091
MDL Number:
MFCD18414651
IUPAC Name:
4-hexylthiophene-2-carbaldehyde
InChI:
InChI=1S/C11H16OS/c1-2-3-4-5-6-10-7-11(8-12)13-9-10/h7-9H,2-6H2,1H3
InChI Key:
XZSDWKHOEIKBDB-UHFFFAOYSA-N
SMILES:
CCCCCCc1csc(c1)C=O
Properties
Complexity:
147
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:
4.4
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