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132331-33-0 | Butanal, 3-methyl-2-(phenylthio)-
CAS No: 132331-33-0 Catalog No: AG0010K2 MDL No:
Product Description
Catalog Number:
AG0010K2
Chemical Name:
Butanal, 3-methyl-2-(phenylthio)-
CAS Number:
132331-33-0
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
3-methyl-2-phenylsulfanylbutanal
InChI:
InChI=1S/C11H14OS/c1-9(2)11(8-12)13-10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChI Key:
DDIMAOMJLRHPJF-UHFFFAOYSA-N
SMILES:
O=CC(C(C)C)Sc1ccccc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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