2,3-Dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic Acid Methyl Ester - CAS 1188528-92-8
Catalog: |
BB066467 |
Product Name: |
2,3-Dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic Acid Methyl Ester |
CAS: |
1188528-92-8 |
Synonyms: |
Methyl 2, 3- dihydro- 1H- pyrido[2, 3- b] [1, 4] oxazine- 7- carboxylic Acid |
IUPAC Name: | methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylate |
Description: | 2,3-Dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic acid methyl ester (cas# 1188528-92-8) is used as reagent in the preparation of substituted pyridoxazine derivatives for use as cannabinoid receptor modulators. |
Molecular Weight: | 194.18 |
Molecular Formula: | C9H10N2O3 |
Canonical SMILES: | COC(=O)C1=CC2=C(N=C1)OCCN2 |
InChI: | InChI=1S/C9H10N2O3/c1-13-9(12)6-4-7-8(11-5-6)14-3-2-10-7/h4-5,10H,2-3H2,1H3 |
InChI Key: | HZBYQHRSVPSNCP-UHFFFAOYSA-N |
References: | Newcom, J. S., et al. PCT Int. Appl. 106pp. (2009). |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.06914219 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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