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Home > Aldehydes > 128958-85-0
128958-85-0 | Benzaldehyde, 2-[(4-methoxyphenyl)thio]-
CAS No: 128958-85-0 Catalog No: AG000YPM MDL No:
Product Description
Catalog Number:
AG000YPM
Chemical Name:
Benzaldehyde, 2-[(4-methoxyphenyl)thio]-
CAS Number:
128958-85-0
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
IUPAC Name:
2-(4-methoxyphenyl)sulfanylbenzaldehyde
InChI:
InChI=1S/C14H12O2S/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-10H,1H3
InChI Key:
LEUGWPTYVRTOEO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccccc1C=O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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