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710960-70-6 | 2-(n-Pentylthio)benzaldehyde
CAS No: 710960-70-6 Catalog No: AG01EX20 MDL No:
Product Description
Catalog Number:
AG01EX20
Chemical Name:
2-(n-Pentylthio)benzaldehyde
CAS Number:
710960-70-6
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
2-pentylsulfanylbenzaldehyde
InChI:
InChI=1S/C12H16OS/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8,10H,2-3,6,9H2,1H3
InChI Key:
YFDVTCFOGBKSDA-UHFFFAOYSA-N
SMILES:
CCCCCSc1ccccc1C=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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