Methyl 4-aminotetrahydro-2h-pyran-4-carboxylate oxalate - CAS 1400644-84-9
Catalog: |
BB076090 |
Product Name: |
Methyl 4-aminotetrahydro-2h-pyran-4-carboxylate oxalate |
CAS: |
1400644-84-9 |
Synonyms: |
METHYL 4-AMINOTETRAHYDRO-2H-PYRAN-4-CARBOXYLATE OXALATE; methyl 4-aminooxane-4-carboxylate; oxalic acid; METHYL4-AMINOTETRAHYDRO-2H-PYRAN-4-CARBOXYLATEOXALATE |
IUPAC Name: | methyl 4-aminooxane-4-carboxylateoxalic acid |
Description: | Methyl 4-aminotetrahydro-2h-pyran-4-carboxylate oxalate |
Molecular Weight: | 159.18 + (90.03) |
Molecular Formula: | C7H13NO3·C2H2O4 |
Canonical SMILES: | COC(=O)C1(CCOCC1)N.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C7H13NO3.C2H2O4/c1-10-6(9)7(8)2-4-11-5-3-73-1(4)2(5)6/h2-5,8H2,1H3(H,3,4)(H,5,6) |
InChI Key: | XXFRIHBGAOLASY-UHFFFAOYSA-N |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.08485182 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.08485182 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 136Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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