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104804-16-2 | 5-ISOBUTYLTHIOPHENE-2-CARBALDEHYDE
CAS No: 104804-16-2 Catalog No: AG0085KM MDL No:MFCD08060024
Product Description
Catalog Number:
AG0085KM
Chemical Name:
5-ISOBUTYLTHIOPHENE-2-CARBALDEHYDE
CAS Number:
104804-16-2
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD08060024
IUPAC Name:
5-(2-methylpropyl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H12OS/c1-7(2)5-8-3-4-9(6-10)11-8/h3-4,6-7H,5H2,1-2H3
InChI Key:
WWHUUTRXFJQXOB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)CC(C)C
Properties
Complexity:
134
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:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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