2-Amino-2-(2,5-dimethoxyphenyl)ethanol Oxalate - CAS 1177348-03-6
Catalog: |
BB054918 |
Product Name: |
2-Amino-2-(2,5-dimethoxyphenyl)ethanol Oxalate |
CAS: |
1177348-03-6 |
Synonyms: |
β-Amino-2,5-dimethoxy-benzeneethanol Ethanedioate (1:1) |
IUPAC Name: | 2-amino-2-(2,5-dimethoxyphenyl)ethanoloxalic acid |
Description: | 2-Amino-2-(2,5-dimethoxyphenyl)ethanol Oxalate |
Molecular Weight: | 197.23 + (90.03) |
Molecular Formula: | C10H15NO3·C2H2O4 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC)C(CO)N.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C10H15NO3.C2H2O4/c1-13-7-3-4-10(14-2)8(5-7)9(11)6-123-1(4)2(5)6/h3-5,9,12H,6,11H2,1-2H3(H,3,4)(H,5,6) |
InChI Key: | DNRUXKCMEASJPG-UHFFFAOYSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.10050188 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.10050188 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 139Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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