| CAS Number | 20258-95-1 |
| Catalog Number | AG00I3SS(AGN-PC-0JS92H) |
| Chemical Name | 2,7-Dihydroxy-1-naphthaldehyde |
| IUPAC Name | 2,7-dihydroxynaphthalene-1-carbaldehyde |
| InChI | InChI=1S/C11H8O3/c12-6-10-9-5-8(13)3-1-7(9)2-4-11(10)14/h1-6,13-14H |
| InChI Key | YLBPRJJZUISDEF-UHFFFAOYSA-N |
| MDL Number | MFCD17169599 |
| Molecular Formula | C11H8O3 |
| Molecular Weight | 188.1794 |
| SMILES | OC1=C(C2=CC(=CC=C2C=C1)O)C=O |
| Synonyms | 2,7-dihydroxy-1-naphthaldehyde,
2,7-dihydroxynaphthalene-1-carbaldehyde,
20258-95-1,
2,7-Dihydroxy-naphthaldehyde,
AC1LAT0B,
SCHEMBL3906221,
2, 7-dihydroxy-1-naphthaldehyde,
YLBPRJJZUISDEF-UHFFFAOYSA-N,
ZINC32150881,
CID519753,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.182g/mol |
| Monoisotopic Mass | 188.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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