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36880-43-0 | 5-(tert-butyl)thiophene-2-carbaldehyde
CAS No: 36880-43-0 Catalog No: AG01A06L MDL No:MFCD22391990
Product Description
Catalog Number:
AG01A06L
Chemical Name:
5-(tert-butyl)thiophene-2-carbaldehyde
CAS Number:
36880-43-0
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD22391990
IUPAC Name:
5-tert-butylthiophene-2-carbaldehyde
InChI:
InChI=1S/C9H12OS/c1-9(2,3)8-5-4-7(6-10)11-8/h4-6H,1-3H3
InChI Key:
GJUJYHIUGGUILF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)C(C)(C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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