| CAS Number | 61639-32-5 |
| Catalog Number | AG00EFQT(AGN-PC-0NIKQZ) |
| Chemical Name | 1-Ethynyl-4-methoxynaphthalene |
| IUPAC Name | 1-ethynyl-4-methoxynaphthalene |
| InChI | InChI=1S/C13H10O/c1-3-10-8-9-13(14-2)12-7-5-4-6-11(10)12/h1,4-9H,2H3 |
| InChI Key | NOIHRCZGOXUPAB-UHFFFAOYSA-N |
| MDL Number | MFCD08703495 |
| Molecular Formula | C13H10O |
| Molecular Weight | 182.2179 |
| SMILES | COC1=C2C=CC=CC2=C(C#C)C=C1 |
| Synonyms | 1-ethynyl-4-methoxynaphthalene,
61639-32-5,
1-ETHYNYL-4-METHOXY-NAPHTHALENE,
4-methoxynaphthyl-acetylene,
SCHEMBL11818532,
CTK2D5721,
DTXSID10489766,
NOIHRCZGOXUPAB-UHFFFAOYSA-N,
Naphthalene, 1-ethynyl-4-methoxy-,
FCH833992,
ZINC39207575,
AKOS006240462,
BBV-38269692,
EN300-267008,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.222g/mol |
| Monoisotopic Mass | 182.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number