2-(3-Methyl-4-nitrophenyl)acetic Acid - CAS 143665-37-6
Catalog: |
BB009648 |
Product Name: |
2-(3-Methyl-4-nitrophenyl)acetic Acid |
CAS: |
143665-37-6 |
Synonyms: |
2-(3-methyl-4-nitrophenyl)acetic acid; 2-(3-methyl-4-nitrophenyl)acetic acid |
IUPAC Name: | 2-(3-methyl-4-nitrophenyl)acetic acid |
Description: | 2-(3-Methyl-4-nitrophenyl)acetic Acid (CAS# 143665-37-6) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | CC1=C(C=CC(=C1)CC(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO4/c1-6-4-7(5-9(11)12)2-3-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12) |
InChI Key: | NUYOXESWWGUDLP-UHFFFAOYSA-N |
Boiling Point: | 376.999 °C at 760 mmHg |
Density: | 1.346 g/cm3 |
Appearance: | Solid |
MDL: | MFCD11036394 |
LogP: | 2.05350 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
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Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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