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1443303-06-7 | 4-(n-Pentylthio)benzaldehyde
CAS No: 1443303-06-7 Catalog No: AG01FFB3 MDL No:
Product Description
Catalog Number:
AG01FFB3
Chemical Name:
4-(n-Pentylthio)benzaldehyde
CAS Number:
1443303-06-7
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
4-pentylsulfanylbenzaldehyde
InChI:
InChI=1S/C12H16OS/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8,10H,2-4,9H2,1H3
InChI Key:
WNJACFHTBKBQAL-UHFFFAOYSA-N
SMILES:
CCCCCSc1ccc(cc1)C=O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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