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849419-02-9 | 2,4,6-Heptatrienal, 6-methyl-7-(2-methyl-4-thiazolyl)-, (2E,4E,6E)-
CAS No: 849419-02-9 Catalog No: AG004V6G MDL No:
Product Description
Catalog Number:
AG004V6G
Chemical Name:
2,4,6-Heptatrienal, 6-methyl-7-(2-methyl-4-thiazolyl)-, (2E,4E,6E)-
CAS Number:
849419-02-9
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
IUPAC Name:
6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,4,6-trienal
InChI:
InChI=1S/C12H13NOS/c1-10(6-4-3-5-7-14)8-12-9-15-11(2)13-12/h3-9H,1-2H3
InChI Key:
LOFWECDJYUOFTL-UHFFFAOYSA-N
SMILES:
O=C/C=C/C=C/C(=C/c1csc(n1)C)/C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.2
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