| CAS Number | 874133-47-8 |
| Catalog Number | AG019ZNN(AGN-PC-0CZO9F) |
| Chemical Name | Methyl 2-[(4-aminonaphthalen-1-yl)oxy]acetate |
| IUPAC Name | methyl 2-(4-aminonaphthalen-1-yl)oxyacetate |
| InChI | InChI=1S/C13H13NO3/c1-16-13(15)8-17-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-7H,8,14H2,1H3 |
| InChI Key | GTWCPDPLKYLNER-UHFFFAOYSA-N |
| MDL Number | MFCD18998458 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | COC(COC1=C2C(C=CC=C2)=C(N)C=C1)=O |
| Synonyms | methyl 2-[(4-aminonaphthalen-1-yl)oxy]acetate,
874133-47-8,
SCHEMBL593004,
GTWCPDPLKYLNER-UHFFFAOYSA-N,
ZINC75496536,
AKOS013001714,
MCULE-6024759812,
NE24450,
RP27960,
(4-amino-naphthalen-1-yloxy)-acetic acid methyl ester,
(4-aminonaphthalen-1-yloxy)-acetic acid methyl ester,
Z1413780452,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number