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Home > Aldehydes > 175397-21-4
175397-21-4 | Benzaldehyde, 4-hydroxy-3-(methylthio)-
CAS No: 175397-21-4 Catalog No: AG0020YC MDL No:MFCD16998902
Product Description
Catalog Number:
AG0020YC
Chemical Name:
Benzaldehyde, 4-hydroxy-3-(methylthio)-
CAS Number:
175397-21-4
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD16998902
IUPAC Name:
4-hydroxy-3-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C8H8O2S/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChI Key:
RLCCVYXEGMAEJW-UHFFFAOYSA-N
SMILES:
CSc1cc(C=O)ccc1O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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