Home Sulfos 3-(2,3-dihydro-1H-indene-5-sulfonyl)propanoic acid

3-(2,3-dihydro-1H-indene-5-sulfonyl)propanoic acid

CAS No.:
926215-51-2
Catalog Number:
AG019N85
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
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Product Description
Catalog Number:
AG019N85
Chemical Name:
3-(2,3-dihydro-1H-indene-5-sulfonyl)propanoic acid
CAS Number:
926215-51-2
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
MDL Number:
MFCD09044212
IUPAC Name:
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoic acid
InChI:
InChI=1S/C12H14O4S/c13-12(14)6-7-17(15,16)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,13,14)
InChI Key:
DJFNDMWAGZHPAU-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.061g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.3g/mol
Monoisotopic Mass:
254.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties