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100752-53-2 | Propanal, 3-(2-naphthalenylthio)-
CAS No: 100752-53-2 Catalog No: AG0002T6 MDL No:
Product Description
Catalog Number:
AG0002T6
Chemical Name:
Propanal, 3-(2-naphthalenylthio)-
CAS Number:
100752-53-2
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
IUPAC Name:
3-naphthalen-2-ylsulfanylpropanal
InChI:
InChI=1S/C13H12OS/c14-8-3-9-15-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-8,10H,3,9H2
InChI Key:
QOPISSWQXXHKJN-UHFFFAOYSA-N
SMILES:
O=CCCSc1ccc2c(c1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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