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117951-12-9

117951-12-9 | 2-Thiophenecarboxaldehyde, tetrahydro-

CAS No: 117951-12-9 Catalog No: AG0081D9 MDL No:MFCD19668857

Product Description

Catalog Number:
AG0081D9
Chemical Name:
2-Thiophenecarboxaldehyde, tetrahydro-
CAS Number:
117951-12-9
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
MDL Number:
MFCD19668857
IUPAC Name:
thiolane-2-carbaldehyde
InChI:
InChI=1S/C5H8OS/c6-4-5-2-1-3-7-5/h4-5H,1-3H2
InChI Key:
LZTFMBADYVIKSP-UHFFFAOYSA-N
SMILES:
O=CC1CCCS1

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:
0.9  

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