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Home > Aldehydes > 179088-48-3
179088-48-3 | 2H-Pyran-4-carboxaldehyde, tetrahydro-4-(phenylthio)-
CAS No: 179088-48-3 Catalog No: AG0026RW MDL No:
Product Description
Catalog Number:
AG0026RW
Chemical Name:
2H-Pyran-4-carboxaldehyde, tetrahydro-4-(phenylthio)-
CAS Number:
179088-48-3
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
IUPAC Name:
4-phenylsulfanyloxane-4-carbaldehyde
InChI:
InChI=1S/C12H14O2S/c13-10-12(6-8-14-9-7-12)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChI Key:
ZNFGGKPZALXHHG-UHFFFAOYSA-N
SMILES:
O=CC1(CCOCC1)Sc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.302g/mol
Monoisotopic Mass:
222.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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