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1065183-51-8 | thiolane-3-carbaldehyde
CAS No: 1065183-51-8 Catalog No: AG01BFQ7 MDL No:MFCD19668858
Product Description
Catalog Number:
AG01BFQ7
Chemical Name:
thiolane-3-carbaldehyde
CAS Number:
1065183-51-8
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
MDL Number:
MFCD19668858
IUPAC Name:
thiolane-3-carbaldehyde
InChI:
InChI=1S/C5H8OS/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2
InChI Key:
XZIKOTWVTCVFDP-UHFFFAOYSA-N
SMILES:
O=CC1CSCC1
Properties
Complexity:
72.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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