| CAS Number | 1011407-42-3 |
| Catalog Number | AG00H9FT(AGN-PC-0WCUVF) |
| Chemical Name | Methyl 3-aminooxanthrene-1-carboxylate |
| IUPAC Name | methyl 3-aminodibenzo-p-dioxin-1-carboxylate |
| InChI | InChI=1S/C14H11NO4/c1-17-14(16)9-6-8(15)7-12-13(9)19-11-5-3-2-4-10(11)18-12/h2-7H,15H2,1H3 |
| InChI Key | JYXGJXNRGDCMIV-UHFFFAOYSA-N |
| MDL Number | MFCD10037676 |
| Molecular Formula | C14H11NO4 |
| Molecular Weight | 257.2414 |
| SMILES | COC(C1=C2C(OC3=C(O2)C=CC=C3)=CC(N)=C1)=O |
| Synonyms | methyl 3-aminooxanthrene-1-carboxylate,
1011407-42-3,
Dibenzo[b,e][1,4]dioxin-1-carboxylic acid, 3-amino-, methyl ester,
methyl 3-aminobenzo[2,3-b]benzo[e]1,4-dioxanecarboxylate,
JYXGJXNRGDCMIV-UHFFFAOYSA-N,
ALBB-025412,
MFCD10037676,
SBB017877,
STK664192,
ZINC14988385,
AKOS005535649,
MCULE-3854308444,
ST4146325,
T1280,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.245g/mol |
| Monoisotopic Mass | 257.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number