2-Methoxy-4-methylbenzoic acid - CAS 704-45-0
Catalog: |
BB034155 |
Product Name: |
2-Methoxy-4-methylbenzoic acid |
CAS: |
704-45-0 |
Synonyms: |
2-methoxy-4-methylbenzoic acid |
IUPAC Name: | 2-methoxy-4-methylbenzoic acid |
Description: | 2-Methoxy-4-methylbenzoic acid (CAS# 704-45-0) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CC1=CC(=C(C=C1)C(=O)O)OC |
InChI: | InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3,(H,10,11) |
InChI Key: | SOWDWUPMHVDZGL-UHFFFAOYSA-N |
Boiling Point: | 308.7 ℃ at 760 mmHg |
Melting Point: | 103-107 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.168 g/cm3 |
MDL: | MFCD00020380 |
LogP: | 1.70180 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
CN-110981713-A | Preparation method and application of 4-hydroxy emodin | 20191120 |
WO-2021057818-A1 | Fxia inhibitors and preparation method therefor and pharmaceutical use thereof | 20190927 |
WO-2020035523-A1 | A dispersant for coating system | 20180816 |
CN-112867751-A | Dispersants for coating systems | 20180816 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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