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1803570-76-4 | 5-tert-butyl-1,3-thiazole-2-carbaldehyde
CAS No: 1803570-76-4 Catalog No: AG01BE3K MDL No:MFCD28125007
Product Description
Catalog Number:
AG01BE3K
Chemical Name:
5-tert-butyl-1,3-thiazole-2-carbaldehyde
CAS Number:
1803570-76-4
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD28125007
IUPAC Name:
5-tert-butyl-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C8H11NOS/c1-8(2,3)6-4-9-7(5-10)11-6/h4-5H,1-3H3
InChI Key:
VAOKRXJCKZRLJN-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(s1)C(C)(C)C
Properties
Complexity:
153
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:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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