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Home > Aldehydes > 893737-77-4
893737-77-4 | 4-Hydroxy-4'-(methylthio)[1,1'-biphenyl]-3-carboxaldehyde
CAS No: 893737-77-4 Catalog No: AG00397H MDL No:
Product Description
Catalog Number:
AG00397H
Chemical Name:
4-Hydroxy-4'-(methylthio)[1,1'-biphenyl]-3-carboxaldehyde
CAS Number:
893737-77-4
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
IUPAC Name:
2-hydroxy-5-(4-methylsulfanylphenyl)benzaldehyde
InChI:
InChI=1S/C14H12O2S/c1-17-13-5-2-10(3-6-13)11-4-7-14(16)12(8-11)9-15/h2-9,16H,1H3
InChI Key:
YMPIUBAFFRNUBI-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc(c(c1)C=O)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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