| CAS Number | 91902-97-5 |
| Catalog Number | AG00398B(AGN-PC-0VX4K8) |
| Chemical Name | Carbonic acid, ethyl 2-naphthalenyl ester |
| IUPAC Name | ethyl naphthalen-2-yl carbonate |
| InChI | InChI=1S/C13H12O3/c1-2-15-13(14)16-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3 |
| InChI Key | VMRNKKFNOFXEMB-UHFFFAOYSA-N |
| MDL Number | MFCD00021605 |
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.2326 |
| SMILES | O=C(OCC)OC1=CC=C2C=CC=CC2=C1 |
| Synonyms | Ethyl Naphthalen-2-yl Carbonate,
91902-97-5,
AC1MS58B,
AC1Q35DV,
ZINC396296,
Carbonic acid ethyl(2-naphthyl) ester,
Carbonic acid, ethyl 2-naphthalenyl ester,
Carbonic acid ethyl ester naphthalen-2-yl ester,
CID3578871,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.236g/mol |
| Monoisotopic Mass | 216.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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