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50675-19-9 | Tetrahydrothiopyran-4-carbaldehyde
CAS No: 50675-19-9 Catalog No: AG003UP7 MDL No:MFCD03425266
Product Description
Catalog Number:
AG003UP7
Chemical Name:
Tetrahydrothiopyran-4-carbaldehyde
CAS Number:
50675-19-9
Molecular Formula:
C6H10OS
Molecular Weight:
130.2080
MDL Number:
MFCD03425266
IUPAC Name:
thiane-4-carbaldehyde
InChI:
InChI=1S/C6H10OS/c7-5-6-1-3-8-4-2-6/h5-6H,1-4H2
InChI Key:
BQIZZLLLLJVFQT-UHFFFAOYSA-N
SMILES:
O=CC1CCSCC1
Properties
Complexity:
76.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.045g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.205g/mol
Monoisotopic Mass:
130.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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