Methyl 3-Acetoxy-5-amino-4-methoxybenzoate - CAS 838856-87-4
Catalog: |
BB037106 |
Product Name: |
Methyl 3-Acetoxy-5-amino-4-methoxybenzoate |
CAS: |
838856-87-4 |
Synonyms: |
3-acetyloxy-5-amino-4-methoxybenzoic acid methyl ester; methyl 3-acetyloxy-5-amino-4-methoxybenzoate |
IUPAC Name: | methyl 3-acetyloxy-5-amino-4-methoxybenzoate |
Description: | Methyl 3-Acetoxy-5-amino-4-methoxybenzoate (CAS# 838856-87-4) is a useful research chemical. |
Molecular Weight: | 239.22 |
Molecular Formula: | C11H13NO5 |
Canonical SMILES: | CC(=O)OC1=CC(=CC(=C1OC)N)C(=O)OC |
InChI: | InChI=1S/C11H13NO5/c1-6(13)17-9-5-7(11(14)16-3)4-8(12)10(9)15-2/h4-5H,12H2,1-3H3 |
InChI Key: | HEGONEBYQYAEGR-UHFFFAOYSA-N |
LogP: | 2.37290 |
Publication Number | Title | Priority Date |
AU-2004259012-A1 | Anaplastic lymphoma kinase modulators and methods of use | 20030723 |
AU-2004259012-B2 | Anaplastic lymphoma kinase modulators and methods of use | 20030723 |
AU-2004259012-C1 | Anaplastic lymphoma kinase modulators and methods of use | 20030723 |
AU-2011202643-A1 | Anaplastic lymphoma kinase modulators and methods of use | 20030723 |
AU-2011202643-B2 | Anaplastic lymphoma kinase modulators and methods of use | 20030723 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.07937252 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 87.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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