2-(Isopropylsulfonyl)acetic Acid - CAS 135242-40-9
Catalog: |
BB008113 |
Product Name: |
2-(Isopropylsulfonyl)acetic Acid |
CAS: |
135242-40-9 |
Synonyms: |
2-propan-2-ylsulfonylacetic acid; 2-propan-2-ylsulfonylacetic acid |
IUPAC Name: | 2-propan-2-ylsulfonylacetic acid |
Description: | 2-(Isopropylsulfonyl)acetic Acid (CAS# 135242-40-9) is a useful research chemical. |
Molecular Weight: | 166.20 |
Molecular Formula: | C5H10O4S |
Canonical SMILES: | CC(C)S(=O)(=O)CC(=O)O |
InChI: | InChI=1S/C5H10O4S/c1-4(2)10(8,9)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
InChI Key: | CSGYOTJDPQKSIC-UHFFFAOYSA-N |
Boiling Point: | 383.7 ℃ at 760 mmHg |
Density: | 1.307 g/cm3 |
MDL: | MFCD06208445 |
LogP: | 0.97500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2019182851-A | Method for producing fused pyridine compound | 20180403 |
MX-2008013137-A | ORGANIC COMPOUNDS. | 20060411 |
CS-219905-B2 | Fungicide means and method of making the active agents | 19780922 |
DD-145989-A5 | Fungicidal agent | 19780922 |
GB-2033379-A | Fungicidally active acetic acid anilides and their manufacture and use | 19780922 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02997997 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02997997 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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