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| Canonical Smiles | C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(O3)C(=O)NN |
|---|---|
| IUPAC Name | 5-(naphthalen-2-yloxymethyl)furan-2-carbohydrazide |
| InChIKey | KAGLMPJIJKYNOE-UHFFFAOYSA-N |
| INCHI | 1S/C16H14N2O3/c17-18-16(19)15-8-7-14(21-15)10-20-13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10,17H2,(H,18,19) |
| Isomeric SMILES | C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(O3)C(=O)NN |
| Alternate CAS | 438472-54-9 |
| PubChem CID | 726927 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | Furoic acid and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthalene - Furoic acid or derivatives - Alkyl aryl ether - Furan - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 282.290 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 282.1 Da |
| Monoisotopic Mass | 282.1 Da |
| Topological Polar Surface Area | 77.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |