3-[Hydroxy(4-nitrophenyl)methyl]isoxazole-4-carboxylic Acid - CAS 2006278-05-1
Catalog: |
BB015591 |
Product Name: |
3-[Hydroxy(4-nitrophenyl)methyl]isoxazole-4-carboxylic Acid |
CAS: |
2006278-05-1 |
Synonyms: |
3-[hydroxy-(4-nitrophenyl)methyl]-4-isoxazolecarboxylic acid; 3-[hydroxy-(4-nitrophenyl)methyl]-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 3-[hydroxy-(4-nitrophenyl)methyl]-1,2-oxazole-4-carboxylic acid |
Description: | 3-[Hydroxy(4-nitrophenyl)methyl]isoxazole-4-carboxylic Acid (CAS# 2006278-05-1 ) is a useful research chemical. |
Molecular Weight: | 264.19 |
Molecular Formula: | C11H8N2O6 |
Canonical SMILES: | C1=CC(=CC=C1C(C2=NOC=C2C(=O)O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C11H8N2O6/c14-10(9-8(11(15)16)5-19-12-9)6-1-3-7(4-2-6)13(17)18/h1-5,10,14H,(H,15,16) |
InChI Key: | NBUAPIAFWOUWIP-UHFFFAOYSA-N |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.03823598 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.03823598 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 129 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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