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67868-84-2 | Benzaldehyde, 2-hydroxy-5-(methylthio)-
CAS No: 67868-84-2 Catalog No: AG005P7W MDL No:MFCD03309091
Product Description
Catalog Number:
AG005P7W
Chemical Name:
Benzaldehyde, 2-hydroxy-5-(methylthio)-
CAS Number:
67868-84-2
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD03309091
IUPAC Name:
2-hydroxy-5-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C8H8O2S/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
InChI Key:
UEFUHPOUXWUJPA-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)C=O)O
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:
2.1
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