(4-Oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid - CAS 923758-13-8
Catalog: |
BB048968 |
Product Name: |
(4-Oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid |
CAS: |
923758-13-8 |
Synonyms: |
2-(4-Oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetic acid; 2-(4-oxo-1-phenyl-5-hydropyrazolo[5,4-d]pyrimidin-5-yl)acetic acid; 2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid; 5H-Pyrazolo[3,4-d]pyrimidine-5-acetic acid, 1,4-dihydro-4-oxo-1-phenyl- |
IUPAC Name: | 2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetic acid |
Description: | (4-Oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid (CAS# 923758-13-8 ) is a useful research chemical. |
Molecular Weight: | 270.24 |
Molecular Formula: | C13H10N4O3 |
Canonical SMILES: | C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)O |
InChI: | InChI=1S/C13H10N4O3/c18-11(19)7-16-8-14-12-10(13(16)20)6-15-17(12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,18,19) |
InChI Key: | HOWWDEQVIAKICD-UHFFFAOYSA-N |
Boiling Point: | 544.7±56.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.07529019 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.07529019 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Related Functional Groups
Pyrazolo[n,m-d]Pyrimidine
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