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141968-74-3 | 1-Propanone, 1-[4-(methylthio)-1-naphthalenyl]-
CAS No: 141968-74-3 Catalog No: AG001HGB MDL No:
Product Description
Catalog Number:
AG001HGB
Chemical Name:
1-Propanone, 1-[4-(methylthio)-1-naphthalenyl]-
CAS Number:
141968-74-3
Molecular Formula:
C14H14OS
Molecular Weight:
230.3254
IUPAC Name:
1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one
InChI:
InChI=1S/C14H14OS/c1-3-13(15)11-8-9-14(16-2)12-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3
InChI Key:
KBITZEWNJZJHKJ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c2c1cccc2)SC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.325g/mol
Monoisotopic Mass:
230.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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