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130368-69-3 | Propanoic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-, (2R)-
CAS No: 130368-69-3 Catalog No: AG000UBI MDL No:MFCD11046508
Product Description
Catalog Number:
AG000UBI
Chemical Name:
Propanoic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-, (2R)-
CAS Number:
130368-69-3
Molecular Formula:
C10H12O5S
Molecular Weight:
244.2643
MDL Number:
MFCD11046508
IUPAC Name:
2-(4-methylphenyl)sulfonyloxypropanoic acid
InChI:
InChI=1S/C10H12O5S/c1-7-3-5-9(6-4-7)16(13,14)15-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChI Key:
QXYOROBKCZWFKK-UHFFFAOYSA-N
SMILES:
C[C@H](C(=O)O)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.261g/mol
Monoisotopic Mass:
244.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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