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19163-21-4 | 2-Thiophenecarboxaldehyde, 5-phenyl-
CAS No: 19163-21-4 Catalog No: AG002FDW MDL No:MFCD01151752
Product Description
Catalog Number:
AG002FDW
Chemical Name:
2-Thiophenecarboxaldehyde, 5-phenyl-
CAS Number:
19163-21-4
Molecular Formula:
C11H8OS
Molecular Weight:
188.2456
MDL Number:
MFCD01151752
IUPAC Name:
5-phenylthiophene-2-carbaldehyde
InChI:
InChI=1S/C11H8OS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
InChI Key:
APWHJDHTLFVWSQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.244g/mol
Monoisotopic Mass:
188.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien-yl)perhydro-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. | Acta crystallographica. Section E, Structure reports online 20080801 |
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