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Home > Aldehydes > 872714-69-7
872714-69-7 | [1,3]Oxathiolo[5,4-c]pyridine-6-carbaldehyde
CAS No: 872714-69-7 Catalog No: AG008EJV MDL No:
Product Description
Catalog Number:
AG008EJV
Chemical Name:
[1,3]Oxathiolo[5,4-c]pyridine-6-carbaldehyde
CAS Number:
872714-69-7
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
IUPAC Name:
[1,3]oxathiolo[5,4-c]pyridine-6-carbaldehyde
InChI:
InChI=1S/C7H5NO2S/c9-3-5-1-7-6(2-8-5)10-4-11-7/h1-3H,4H2
InChI Key:
VTWJKEZCXALLKM-UHFFFAOYSA-N
SMILES:
O=Cc1ncc2c(c1)SCO2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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