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Home > Aldehydes > 139334-68-2
139334-68-2 | 2-Thiophenecarboxaldehyde, 3-(3,3-dimethyl-1-butynyl)-
CAS No: 139334-68-2 Catalog No: AG007KUB MDL No:
Product Description
Catalog Number:
AG007KUB
Chemical Name:
2-Thiophenecarboxaldehyde, 3-(3,3-dimethyl-1-butynyl)-
CAS Number:
139334-68-2
Molecular Formula:
C11H12OS
Molecular Weight:
192.2774
IUPAC Name:
3-(3,3-dimethylbut-1-ynyl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H12OS/c1-11(2,3)6-4-9-5-7-13-10(9)8-12/h5,7-8H,1-3H3
InChI Key:
FFNBEAVSRQPOTQ-UHFFFAOYSA-N
SMILES:
O=Cc1sccc1C#CC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.276g/mol
Monoisotopic Mass:
192.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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