Hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylic Acid - CAS 1891158-95-4
Catalog: |
BB064297 |
Product Name: |
Hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylic Acid |
CAS: |
1891158-95-4 |
Synonyms: |
hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylic acid; 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylic acid; hexahydro-1H-pyrrolo[2,1-c]morpholine-7-carboxylic acid |
IUPAC Name: | 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylic acid |
Description: | hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylic acid (cas# 1891158-95-4) is a useful research chemical. |
Molecular Weight: | 171.19 |
Molecular Formula: | C8H13NO3 |
Canonical SMILES: | C1COCC2N1CC(C2)C(=O)O |
InChI: | InChI=1S/C8H13NO3/c10-8(11)6-3-7-5-12-2-1-9(7)4-6/h6-7H,1-5H2,(H,10,11) |
InChI Key: | OANDLPBSMJHXID-UHFFFAOYSA-N |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.08954328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.7 |
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