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1215078-26-4 | 3-(n-Butylthio)benzaldehyde
CAS No: 1215078-26-4 Catalog No: AG01FFDC MDL No:
Product Description
Catalog Number:
AG01FFDC
Chemical Name:
3-(n-Butylthio)benzaldehyde
CAS Number:
1215078-26-4
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
3-butylsulfanylbenzaldehyde
InChI:
InChI=1S/C11H14OS/c1-2-3-7-13-11-6-4-5-10(8-11)9-12/h4-6,8-9H,2-3,7H2,1H3
InChI Key:
HNGUUDGCDAOSPP-UHFFFAOYSA-N
SMILES:
CCCCSc1cccc(c1)C=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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