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184246-38-6 | 2-Propenal, 2-methyl-3-(2-methyl-4-thiazolyl)-, (2E)-
CAS No: 184246-38-6 Catalog No: AG007SBX MDL No:
Product Description
Catalog Number:
AG007SBX
Chemical Name:
2-Propenal, 2-methyl-3-(2-methyl-4-thiazolyl)-, (2E)-
CAS Number:
184246-38-6
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
IUPAC Name:
(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
InChI:
InChI=1S/C8H9NOS/c1-6(4-10)3-8-5-11-7(2)9-8/h3-5H,1-2H3/b6-3+
InChI Key:
WYCFAQGMIOYSTN-ZZXKWVIFSA-N
SMILES:
C/C(=C\c1csc(n1)C)/C=O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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