2-Amino-3-(phenylmethoxy)benzoic Acid Methyl Ester - CAS 533897-94-8
Catalog: |
BB054969 |
Product Name: |
2-Amino-3-(phenylmethoxy)benzoic Acid Methyl Ester |
CAS: |
533897-94-8 |
Synonyms: |
2-Amino-3-(phenylmethoxy)benzoic Acid Methyl Ester; Methyl 2-amino-3-phenylmethoxybenzoate; Methyl 2-amino-3-(benzyloxy)benzoate; Methyl2-amino-3-(benzyloxy)benzoate |
IUPAC Name: | methyl 2-amino-3-phenylmethoxybenzoate |
Molecular Weight: | 257.28 |
Molecular Formula: | C15H15NO3 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)N |
InChI: | InChI=1S/C15H15NO3/c1-18-15(17)12-8-5-9-13(14(12)16)19-10-11-6-3-2-4-7-11/h2-9H,10,16H2,1H3 |
InChI Key: | CUMHMQKSSZKGRY-UHFFFAOYSA-N |
Solubility: | DCM, Methanol |
Appearance: | Yellow Solid |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.10519334 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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