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383135-47-5 | 2-(4-(ethylsulfonyl)phenyl)acetic acid
CAS No: 383135-47-5 Catalog No: AG003EUH MDL No:MFCD02664818
Product Description
Catalog Number:
AG003EUH
Chemical Name:
2-(4-(ethylsulfonyl)phenyl)acetic acid
CAS Number:
383135-47-5
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD02664818
IUPAC Name:
2-(4-ethylsulfonylphenyl)acetic acid
InChI:
InChI=1S/C10H12O4S/c1-2-15(13,14)9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key:
FJOLLUNLZJLQMN-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(cc1)CC(=O)O
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:
1.7
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