Methyl 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate - CAS 82756-71-6
Catalog: |
BB036898 |
Product Name: |
Methyl 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate |
CAS: |
82756-71-6 |
Synonyms: |
3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid methyl ester;hydrochloride; methyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate;hydrochloride |
IUPAC Name: | methyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
Description: | Methyl 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate (CAS# 82756-71-6 ) is a useful research chemical. |
Molecular Weight: | 193.20 |
Molecular Formula: | C10H11NO3 |
Canonical SMILES: | COC(=O)C1CNC2=CC=CC=C2O1.Cl |
InChI: | InChI=1S/C10H11NO3.ClH/c1-13-10(12)9-6-11-7-4-2-3-5-8(7)14-9;/h2-5,9,11H,6H2,1H3;1H |
InChI Key: | XIRKMYLCSJDQQE-UHFFFAOYSA-N |
LogP: | 1.17050 |
Publication Number | Title | Priority Date |
CN-104220422-A | Ep1 receptor ligands | 20110916 |
US-2012088790-A1 | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | 20100813 |
US-2015158842-A1 | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | 20100813 |
US-9045459-B2 | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | 20100813 |
EP-2438037-A1 | Glycine b antagonists | 20090604 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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