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Home > Aldehydes > 1443348-39-7
1443348-39-7 | 3-(n-Pentylthio)benzaldehyde
CAS No: 1443348-39-7 Catalog No: AG01FFBC MDL No:
Product Description
Catalog Number:
AG01FFBC
Chemical Name:
3-(n-Pentylthio)benzaldehyde
CAS Number:
1443348-39-7
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
3-pentylsulfanylbenzaldehyde
InChI:
InChI=1S/C12H16OS/c1-2-3-4-8-14-12-7-5-6-11(9-12)10-13/h5-7,9-10H,2-4,8H2,1H3
InChI Key:
GPLOLDDHQDURNJ-UHFFFAOYSA-N
SMILES:
CCCCCSc1cccc(c1)C=O
Properties
Complexity:
158
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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