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Home > Aldehydes > 1094281-72-7
1094281-72-7 | 5-(2,4-DIMETHYLPHENYL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1094281-72-7 Catalog No: AG01DT04 MDL No:MFCD11206890
Product Description
Catalog Number:
AG01DT04
Chemical Name:
5-(2,4-DIMETHYLPHENYL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1094281-72-7
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
MDL Number:
MFCD11206890
IUPAC Name:
5-(2,4-dimethylphenyl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C13H12OS/c1-9-3-5-12(10(2)7-9)13-6-4-11(8-14)15-13/h3-8H,1-2H3
InChI Key:
JBPQQMRHKDWJLP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1ccc(cc1C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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