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372159-78-9 | 2H-Thiopyran-4-acetaldehyde, tetrahydro-
CAS No: 372159-78-9 Catalog No: AG007A6I MDL No:
Product Description
Catalog Number:
AG007A6I
Chemical Name:
2H-Thiopyran-4-acetaldehyde, tetrahydro-
CAS Number:
372159-78-9
Molecular Formula:
C7H12OS
Molecular Weight:
144.2346
IUPAC Name:
2-(thian-4-yl)acetaldehyde
InChI:
InChI=1S/C7H12OS/c8-4-1-7-2-5-9-6-3-7/h4,7H,1-3,5-6H2
InChI Key:
CWHCPADVUMAPJK-UHFFFAOYSA-N
SMILES:
O=CCC1CCSCC1
Properties
Complexity:
86.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.061g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.232g/mol
Monoisotopic Mass:
144.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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