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Home > Aldehydes > 794525-98-7
794525-98-7 | Benzeneacetaldehyde, 2-[(S)-(4-methylphenyl)sulfinyl]-
CAS No: 794525-98-7 Catalog No: AG005JLY MDL No:
Product Description
Catalog Number:
AG005JLY
Chemical Name:
Benzeneacetaldehyde, 2-[(S)-(4-methylphenyl)sulfinyl]-
CAS Number:
794525-98-7
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
IUPAC Name:
2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]acetaldehyde
InChI:
InChI=1S/C15H14O2S/c1-12-6-8-14(9-7-12)18(17)15-5-3-2-4-13(15)10-11-16/h2-9,11H,10H2,1H3/t18-/m0/s1
InChI Key:
BSERVJJSENUZQO-SFHVURJKSA-N
SMILES:
O=CCc1ccccc1[S@@](=O)c1ccc(cc1)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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