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1876132-08-9 | 3-methyl-4-(3-methyl-1,2-thiazol-5-yl)benzaldehyde
CAS No: 1876132-08-9 Catalog No: AG01C71H MDL No:MFCD29972939
Product Description
Catalog Number:
AG01C71H
Chemical Name:
3-methyl-4-(3-methyl-1,2-thiazol-5-yl)benzaldehyde
CAS Number:
1876132-08-9
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
MDL Number:
MFCD29972939
IUPAC Name:
3-methyl-4-(3-methyl-1,2-thiazol-5-yl)benzaldehyde
InChI:
InChI=1S/C12H11NOS/c1-8-5-10(7-14)3-4-11(8)12-6-9(2)13-15-12/h3-7H,1-2H3
InChI Key:
PUDHGSGCJKZFOM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)c1snc(c1)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:
2.9
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