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84211-94-9 | 4-(Ethylthio)benzaldehyde, 98%
CAS No: 84211-94-9 Catalog No: AG003K8A MDL No:MFCD01318145
Product Description
Catalog Number:
AG003K8A
Chemical Name:
4-(Ethylthio)benzaldehyde, 98%
CAS Number:
84211-94-9
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD01318145
IUPAC Name:
4-ethylsulfanylbenzaldehyde
InChI:
InChI=1S/C9H10OS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
InChI Key:
LPRKZLUVZOFDDT-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)C=O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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