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53606-36-3 | 4-(n-Hexylthio)benzaldehyde
CAS No: 53606-36-3 Catalog No: AG01EWDS MDL No:
Product Description
Catalog Number:
AG01EWDS
Chemical Name:
4-(n-Hexylthio)benzaldehyde
CAS Number:
53606-36-3
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
4-hexylsulfanylbenzaldehyde
InChI:
InChI=1S/C13H18OS/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3
InChI Key:
HLDSCVSXTUDAPX-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ccc(cc1)C=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.346g/mol
Monoisotopic Mass:
222.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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