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Home > Aldehydes > 114633-95-3
114633-95-3 | 3-Thiopheneacetaldehyde
CAS No: 114633-95-3 Catalog No: AG000EVZ MDL No:
Product Description
Catalog Number:
AG000EVZ
Chemical Name:
3-Thiopheneacetaldehyde
CAS Number:
114633-95-3
Molecular Formula:
C6H6OS
Molecular Weight:
126.1762
IUPAC Name:
2-thiophen-3-ylacetaldehyde
InChI:
InChI=1S/C6H6OS/c7-3-1-6-2-4-8-5-6/h2-5H,1H2
InChI Key:
CKCMNYDVHYXJDG-UHFFFAOYSA-N
SMILES:
O=CCc1cscc1
Properties
Complexity:
82.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.014g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.173g/mol
Monoisotopic Mass:
126.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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