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Home > Aldehydes > 1261925-44-3
1261925-44-3 | [1,1'-Biphenyl]-4-carboxaldehyde, 3-hydroxy-4'-(methylthio)-
CAS No: 1261925-44-3 Catalog No: AG000S5L MDL No:MFCD18314725
Product Description
Catalog Number:
AG000S5L
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde, 3-hydroxy-4'-(methylthio)-
CAS Number:
1261925-44-3
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD18314725
IUPAC Name:
2-hydroxy-4-(4-methylsulfanylphenyl)benzaldehyde
InChI:
InChI=1S/C14H12O2S/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-15)14(16)8-11/h2-9,16H,1H3
InChI Key:
UOFAWYROSONALA-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc(c(c1)O)C=O
Properties
Complexity:
249
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:
1
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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