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84264-98-2 | 4-(n-Propylthio)benzaldehyde
CAS No: 84264-98-2 Catalog No: AG01EXN6 MDL No:
Product Description
Catalog Number:
AG01EXN6
Chemical Name:
4-(n-Propylthio)benzaldehyde
CAS Number:
84264-98-2
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
IUPAC Name:
4-propylsulfanylbenzaldehyde
InChI:
InChI=1S/C10H12OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3
InChI Key:
IPFHCLSMBLTWFO-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(cc1)C=O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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