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1141-45-3

1141-45-3 | Propanoic acid, 3-(2-naphthalenylthio)-

CAS No: 1141-45-3 Catalog No: AG000AL9 MDL No:MFCD00051616

Product Description

Catalog Number:
AG000AL9
Chemical Name:
Propanoic acid, 3-(2-naphthalenylthio)-
CAS Number:
1141-45-3
Molecular Formula:
C13H12O2S
Molecular Weight:
232.2982
MDL Number:
MFCD00051616
IUPAC Name:
3-naphthalen-2-ylsulfanylpropanoic acid
InChI:
InChI=1S/C13H12O2S/c14-13(15)7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,14,15)
InChI Key:
XMQJAJQNGNSZFY-UHFFFAOYSA-N
SMILES:
OC(=O)CCSc1ccc2c(c1)cccc2

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.297g/mol
Monoisotopic Mass:
232.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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