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88357-16-8 | 4-(tert-Butylthio);benzaldehyde
CAS No: 88357-16-8 Catalog No: AG00457U MDL No:MFCD08443944
Product Description
Catalog Number:
AG00457U
Chemical Name:
4-(tert-Butylthio);benzaldehyde
CAS Number:
88357-16-8
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
MDL Number:
MFCD08443944
IUPAC Name:
4-tert-butylsulfanylbenzaldehyde
InChI:
InChI=1S/C11H14OS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChI Key:
RRXBEPPOMHZDBO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)SC(C)(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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