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886509-04-2 | 5-(3-Acetyl-phenyl)-thiophene-2-carbaldehyde
CAS No: 886509-04-2 Catalog No: AG01EYHC MDL No:
Product Description
Catalog Number:
AG01EYHC
Chemical Name:
5-(3-Acetyl-phenyl)-thiophene-2-carbaldehyde
CAS Number:
886509-04-2
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
IUPAC Name:
5-(3-acetylphenyl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C13H10O2S/c1-9(15)10-3-2-4-11(7-10)13-6-5-12(8-14)16-13/h2-8H,1H3
InChI Key:
QPOUOAPFEHSTCY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1cccc(c1)C(=O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.281g/mol
Monoisotopic Mass:
230.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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