2-Amino-4-methoxybenzoic acid - CAS 4294-95-5
Catalog: |
BB025286 |
Product Name: |
2-Amino-4-methoxybenzoic acid |
CAS: |
4294-95-5 |
Synonyms: |
2-amino-4-methoxybenzoic acid |
IUPAC Name: | 2-amino-4-methoxybenzoic acid |
Description: | 2-Amino-4-methoxybenzoic acid (CAS# 4294-95-5) is an organic building block used in the synthesis of various chemical compounds. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)C(=O)O)N |
InChI: | InChI=1S/C8H9NO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11) |
InChI Key: | HHNWXQCVWVVVQZ-UHFFFAOYSA-N |
Boiling Point: | 339.8 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.303 g/cm3 |
MDL: | MFCD00667729 |
LogP: | 1.55680 |
GHS Hazard Statement: | H302 (85.11%): 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 |
CN-111978190-A | Temperature-sensitive fluorescent sensing material and application thereof | 20200824 |
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CN-111499644-A | Imidazo [1,5-a ] quinazoline-5 (4H) -ketone derivative and preparation method and application thereof | 20200424 |
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WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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