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10154-71-9 | Propanoic acid, 3-(phenylsulfonyl)-
CAS No: 10154-71-9 Catalog No: AG0004R9 MDL No:MFCD00010141
Product Description
Catalog Number:
AG0004R9
Chemical Name:
Propanoic acid, 3-(phenylsulfonyl)-
CAS Number:
10154-71-9
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD00010141
IUPAC Name:
3-(benzenesulfonyl)propanoic acid
InChI:
InChI=1S/C9H10O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key:
WGTYYNCSWCKXAI-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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