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66303-55-7 | Acetaldehyde, (phenylthio)-
CAS No: 66303-55-7 Catalog No: AG006NJU MDL No:MFCD09868780
Product Description
Catalog Number:
AG006NJU
Chemical Name:
Acetaldehyde, (phenylthio)-
CAS Number:
66303-55-7
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
MDL Number:
MFCD09868780
IUPAC Name:
2-phenylsulfanylacetaldehyde
InChI:
InChI=1S/C8H8OS/c9-6-7-10-8-4-2-1-3-5-8/h1-6H,7H2
InChI Key:
UVDDGALZIHEYOK-UHFFFAOYSA-N
SMILES:
O=CCSc1ccccc1
Properties
Complexity:
97.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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