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166590-53-0 | Benzaldehyde, 4-hydroxy-3-mercapto-
CAS No: 166590-53-0 Catalog No: AG001WUA MDL No:
Product Description
Catalog Number:
AG001WUA
Chemical Name:
Benzaldehyde, 4-hydroxy-3-mercapto-
CAS Number:
166590-53-0
Molecular Formula:
C7H6O2S
Molecular Weight:
154.1863
IUPAC Name:
4-hydroxy-3-sulfanylbenzaldehyde
InChI:
InChI=1S/C7H6O2S/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
InChI Key:
LOQMENZSCDPVJW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)S)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.183g/mol
Monoisotopic Mass:
154.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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