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Home > Aldehydes > 885279-05-0
885279-05-0 | 2-(3,4-Dimethylphenyl)thiazole-4-carbaldehyde
CAS No: 885279-05-0 Catalog No: AG0045UY MDL No:MFCD06738356
Product Description
Catalog Number:
AG0045UY
Chemical Name:
2-(3,4-Dimethylphenyl)thiazole-4-carbaldehyde
CAS Number:
885279-05-0
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
MDL Number:
MFCD06738356
IUPAC Name:
2-(3,4-dimethylphenyl)-1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C12H11NOS/c1-8-3-4-10(5-9(8)2)12-13-11(6-14)7-15-12/h3-7H,1-2H3
InChI Key:
XHBMPZBWUCAFAX-UHFFFAOYSA-N
SMILES:
O=Cc1csc(n1)c1ccc(c(c1)C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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