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Home > Aldehydes > 185683-47-0
185683-47-0 | Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-(phenylthio)-
CAS No: 185683-47-0 Catalog No: AG0076O7 MDL No:
Product Description
Catalog Number:
AG0076O7
Chemical Name:
Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-(phenylthio)-
CAS Number:
185683-47-0
Molecular Formula:
C17H18O2S
Molecular Weight:
286.3886
IUPAC Name:
5-tert-butyl-2-hydroxy-3-phenylsulfanylbenzaldehyde
InChI:
InChI=1S/C17H18O2S/c1-17(2,3)13-9-12(11-18)16(19)15(10-13)20-14-7-5-4-6-8-14/h4-11,19H,1-3H3
InChI Key:
SAGKBBVNTDMFKR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)Sc1ccccc1)C(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.389g/mol
Monoisotopic Mass:
286.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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