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1248167-68-1 | 2-(2-methylpropyl)-1,3-thiazole-5-carbaldehyde
CAS No: 1248167-68-1 Catalog No: AG01A1LT MDL No:MFCD14615180
Product Description
Catalog Number:
AG01A1LT
Chemical Name:
2-(2-methylpropyl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1248167-68-1
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD14615180
IUPAC Name:
2-(2-methylpropyl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H11NOS/c1-6(2)3-8-9-4-7(5-10)11-8/h4-6H,3H2,1-2H3
InChI Key:
XUPKKEPKKCJOBI-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(s1)CC(C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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