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10154-76-4 | Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-
CAS No: 10154-76-4 Catalog No: AG0004R6 MDL No:MFCD00222077
Product Description
Catalog Number:
AG0004R6
Chemical Name:
Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-
CAS Number:
10154-76-4
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD00222077
IUPAC Name:
3-(4-methylphenyl)sulfonylpropanoic acid
InChI:
InChI=1S/C10H12O4S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key:
HXZLEMZJRUFEKH-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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