| CAS Number | 93655-34-6 |
| Catalog Number | AG003PKS(AGN-PC-0LPA55) |
| Chemical Name | 1,8-Anthracenedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | dimethyl anthracene-1,8-dicarboxylate |
| InChI | InChI=1S/C18H14O4/c1-21-17(19)13-7-3-5-11-9-12-6-4-8-14(18(20)22-2)16(12)10-15(11)13/h3-10H,1-2H3 |
| InChI Key | ALYSIEHCBBJETD-UHFFFAOYSA-N |
| MDL Number | MFCD01321126 |
| Molecular Formula | C18H14O4 |
| Molecular Weight | 294.3014 |
| SMILES | O=C(C1=C2C=C3C(C(OC)=O)=CC=CC3=CC2=CC=C1)OC |
| Synonyms | Dimethyl 1,8-Anthracenedicarboxylate,
93655-34-6,
Dimethyl Anthracene-1,8-dicarboxylate,
1,8-Anthracenedicarboxylic Acid Dimethyl Ester,
ACMC-209rmv,
AC1NR2JZ,
SCHEMBL6761980,
CTK5H2767,
DTXSID80413937,
ZINC2379565,
ANW-40085,
MFCD01321126,
AKOS015840808,
TR-029312,
CID5260121,
A1433,
1,8-ANTHRACENEDICARBOXYLICACIDDIMETHYLESTER,
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| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.306g/mol |
| Monoisotopic Mass | 294.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number