2-(Ethylsulfonyl)acetic Acid - CAS 141811-44-1
Catalog: |
BB009242 |
Product Name: |
2-(Ethylsulfonyl)acetic Acid |
CAS: |
141811-44-1 |
Synonyms: |
2-ethylsulfonylacetic acid; 2-ethylsulfonylacetic acid |
IUPAC Name: | 2-ethylsulfonylacetic acid |
Description: | 2-(Ethylsulfonyl)acetic Acid (CAS# 141811-44-1) is a useful research chemical. |
Molecular Weight: | 152.17 |
Molecular Formula: | C4H8O4S |
Canonical SMILES: | CCS(=O)(=O)CC(=O)O |
InChI: | InChI=1S/C4H8O4S/c1-2-9(7,8)3-4(5)6/h2-3H2,1H3,(H,5,6) |
InChI Key: | XTKCDFOXCDJUGE-UHFFFAOYSA-N |
Boiling Point: | 399.5 °C at 760 mmHg |
Density: | 1.38 g/cm3 |
MDL: | MFCD09864550 |
LogP: | 0.58650 |
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 |
JP-2020189891-A | Harmful arthropod control method using heterocyclic compound | 20200831 |
WO-2020203763-A1 | Heterocyclic compound and harmful arthropod pest control composition containing same | 20190329 |
JP-2019182851-A | Method for producing fused pyridine compound | 20180403 |
JP-2018076234-A | Pyrazolo [1,5-a] pyrimidine compounds | 20150316 |
WO-2016148145-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND | 20150316 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.01432991 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.01432991 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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