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Home > Aldehydes > 113772-17-1
113772-17-1 | 3-Thiophenecarboxaldehyde, tetrahydro-4-hydroxy-
CAS No: 113772-17-1 Catalog No: AG0009MD MDL No:
Product Description
Catalog Number:
AG0009MD
Chemical Name:
3-Thiophenecarboxaldehyde, tetrahydro-4-hydroxy-
CAS Number:
113772-17-1
Molecular Formula:
C5H8O2S
Molecular Weight:
132.1808
IUPAC Name:
4-hydroxythiolane-3-carbaldehyde
InChI:
InChI=1S/C5H8O2S/c6-1-4-2-8-3-5(4)7/h1,4-5,7H,2-3H2
InChI Key:
CLEKNVDYPODCTP-UHFFFAOYSA-N
SMILES:
OC1CSCC1C=O
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.177g/mol
Monoisotopic Mass:
132.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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