| CAS Number | 91805-17-3 |
| Catalog Number | AG003HRM(AGN-PC-0OMYRZ) |
| Chemical Name | 2-Naphthyl propiolate |
| IUPAC Name | naphthalen-2-yl prop-2-ynoate |
| InChI | InChI=1S/C13H8O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h1,3-9H |
| InChI Key | ANECZRYIRALULR-UHFFFAOYSA-N |
| MDL Number | MFCD16878977 |
| Molecular Formula | C13H8O2 |
| Molecular Weight | 196.2014 |
| SMILES | O=C(OC2(=CC=1(C(=CC=CC=1)C=C2)))C#C |
| Synonyms | 2-Naphthyl propiolate,
91805-17-3,
Naphthalen-2-yl prop-2-ynoate,
ACMC-20anpd,
Naphthalen-2-yl propiolate,
2-Naphthyl propiolate, 95%,
Propiolic acid 2-naphthyl ester,
SCHEMBL11010762,
CTK8C6023,
DTXSID90746400,
ZINC71773460,
AKOS025295916,
KS-000029U7,
NS-00079,
DB-079178,
TC-170392,
FT-0709589,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.205g/mol |
| Monoisotopic Mass | 196.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number