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91827-97-3 | 2-(n-Butylthio)benzaldehyde
CAS No: 91827-97-3 Catalog No: AG01EZ98 MDL No:
Product Description
Catalog Number:
AG01EZ98
Chemical Name:
2-(n-Butylthio)benzaldehyde
CAS Number:
91827-97-3
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
2-butylsulfanylbenzaldehyde
InChI:
InChI=1S/C11H14OS/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,9H,2-3,8H2,1H3
InChI Key:
LTJCCJIOKZLBAH-UHFFFAOYSA-N
SMILES:
CCCCSc1ccccc1C=O
Properties
Complexity:
147
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:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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