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20667-99-6 | Propanoic acid, 2-(2-naphthalenylthio)-, (S)- (9CI)
CAS No: 20667-99-6 Catalog No: AG002IMD MDL No:
Product Description
Catalog Number:
AG002IMD
Chemical Name:
Propanoic acid, 2-(2-naphthalenylthio)-, (S)- (9CI)
CAS Number:
20667-99-6
Molecular Formula:
C13H12O2S
Molecular Weight:
232.2982
IUPAC Name:
(2S)-2-naphthalen-2-ylsulfanylpropanoic acid
InChI:
InChI=1S/C13H12O2S/c1-9(13(14)15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,14,15)/t9-/m0/s1
InChI Key:
ASDZGCJATASKGH-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H](Sc1ccc2c(c1)cccc2)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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