3-Acetoxy-2-methylbenzoic acid - CAS 168899-58-9
Catalog: |
BB012501 |
Product Name: |
3-Acetoxy-2-methylbenzoic acid |
CAS: |
168899-58-9 |
Synonyms: |
3-acetyloxy-2-methylbenzoic acid |
IUPAC Name: | 3-acetyloxy-2-methylbenzoic acid |
Description: | An intermediate in the preparation of small-sized HIV protease inhibitors. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | CC1=C(C=CC=C1OC(=O)C)C(=O)O |
InChI: | InChI=1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13) |
InChI Key: | LHVJUPHCLWIPLZ-UHFFFAOYSA-N |
Boiling Point: | 337 °C at 760 mmHg |
Melting Point: | 149-151 °C |
Density: | 1.245 g/cm3 |
Appearance: | Light yellow crystalline solid |
MDL: | MFCD00957176 |
LogP: | 1.61850 |
GHS Hazard Statement: | H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113503899-A | Nonlinear error suppression system and sensor based on neural network | 20210712 |
CN-113495862-A | Bus bridge device with ECC function | 20210629 |
CN-113496107-A | Integrated CPU model | 20210629 |
CN-113496108-A | CPU model applied to simulation | 20210629 |
CN-113433572-A | Satellite navigation signal simulator based on ZYNQ and signal simulation method | 20210628 |
PMID | Publication Date | Title | Journal |
18422128 | 20080101 | [Novel synthesis and spectral characterization of nelfinavir] | Guang pu xue yu guang pu fen xi = Guang pu |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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