3-oxo-3H-pyrrolizine-2-carboxylic acid - CAS 75413-09-1
Catalog: |
BB035313 |
Product Name: |
3-oxo-3H-pyrrolizine-2-carboxylic acid |
CAS: |
75413-09-1 |
Synonyms: |
3-oxo-2-pyrrolizinecarboxylic acid; 3-oxopyrrolizine-2-carboxylic acid |
IUPAC Name: | 3-oxopyrrolizine-2-carboxylic acid |
Description: | 3-oxo-3H-pyrrolizine-2-carboxylic acid (CAS# 75413-09-1 ) is a useful research chemical. |
Molecular Weight: | 163.132 |
Molecular Formula: | C8H5NO3 |
Canonical SMILES: | C1=CN2C(=C1)C=C(C2=O)C(=O)O |
InChI: | InChI=1S/C8H5NO3/c10-7-6(8(11)12)4-5-2-1-3-9(5)7/h1-4H,(H,11,12) |
InChI Key: | NACXWNHAXKEPAX-UHFFFAOYSA-N |
LogP: | 0.60990 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.026943022 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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