2-[2-(Methylsulfonyl)phenyl]acetic Acid - CAS 142336-20-7
Catalog: |
BB009358 |
Product Name: |
2-[2-(Methylsulfonyl)phenyl]acetic Acid |
CAS: |
142336-20-7 |
Synonyms: |
2-(2-methylsulfonylphenyl)acetic acid; 2-(2-methylsulfonylphenyl)acetic acid |
IUPAC Name: | 2-(2-methylsulfonylphenyl)acetic acid |
Description: | 2-[2-(Methylsulfonyl)phenyl]acetic Acid (CAS# 142336-20-7) is a useful research chemical. |
Molecular Weight: | 214.24 |
Molecular Formula: | C9H10O4S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC=C1CC(=O)O |
InChI: | InChI=1S/C9H10O4S/c1-14(12,13)8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
InChI Key: | HHYARTYRXSPXKG-UHFFFAOYSA-N |
LogP: | 1.79800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021063362-A1 | Sulfo-substituted biaryl compound or salt thereof, preparation method therefor, and use thereof | 20190930 |
EP-3418276-A1 | Azole-substituted pyridine compound | 20160215 |
JP-2016128387-A | Aromatic six-membered ring derivatives with substituents at the meta position | 20150109 |
JP-2016108257-A | Indoline derivative | 20141203 |
TW-201625588-A | Cyclic amine derivative | 20141105 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.02997997 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.02997997 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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