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Home > Aldehydes > 1443302-89-3
1443302-89-3 | 3-(iso-Pentylthio)benzaldehyde
CAS No: 1443302-89-3 Catalog No: AG01FF2C MDL No:
Product Description
Catalog Number:
AG01FF2C
Chemical Name:
3-(iso-Pentylthio)benzaldehyde
CAS Number:
1443302-89-3
Molecular Formula:
C13H20OS
Molecular Weight:
224.3623
IUPAC Name:
2-[3-(3-methylbutylsulfanyl)phenyl]ethanol
InChI:
InChI=1S/C13H20OS/c1-11(2)7-9-15-13-5-3-4-12(10-13)6-8-14/h3-5,10-11,14H,6-9H2,1-2H3
InChI Key:
CHHWQVKOUYEUHE-UHFFFAOYSA-N
SMILES:
OCCc1cccc(c1)SCCC(C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.362g/mol
Monoisotopic Mass:
224.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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