2-Amino-2-(2,4,5-trimethoxyphenyl)ethanol Oxalate - CAS 1177339-41-1
Catalog: |
BB074453 |
Product Name: |
2-Amino-2-(2,4,5-trimethoxyphenyl)ethanol Oxalate |
CAS: |
1177339-41-1 |
Synonyms: |
β-Amino-2,4,5-trimethoxy-benzeneethanol Ethanedioate (1:1) |
IUPAC Name: | 2-amino-2-(2,4,5-trimethoxyphenyl)ethanoloxalic acid |
Description: | 2-Amino-2-(2,4,5-trimethoxyphenyl)ethanol Oxalate |
Molecular Weight: | 227.26 + (90.03) |
Molecular Formula: | C11H17NO4·C2H2O4 |
Canonical SMILES: | COC1=CC(=C(C=C1C(CO)N)OC)OC.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C11H17NO4.C2H2O4/c1-14-9-5-11(16-3)10(15-2)4-7(9)8(12)6-133-1(4)2(5)6/h4-5,8,13H,6,12H2,1-3H3(H,3,4)(H,5,6) |
InChI Key: | CKWWMQSBAOZKBR-UHFFFAOYSA-N |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.11106656 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.11106656 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 149Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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