| CAS Number | 939758-88-0 |
| Catalog Number | AG01DX8U(AGN-PC-0WOKOF) |
| Chemical Name | 2H-1-Benzopyran-8-carboxylic acid, 3-amino-3,4-dihydro-, methyl ester |
| IUPAC Name | methyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate |
| InChI | InChI=1S/C11H13NO3/c1-14-11(13)9-4-2-3-7-5-8(12)6-15-10(7)9/h2-4,8H,5-6,12H2,1H3 |
| InChI Key | URDHIEIMMKNXPA-UHFFFAOYSA-N |
| MDL Number | MFCD08544309 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | O=C(C1=CC=CC2=C1OCC(N)C2)OC |
| Synonyms | methyl 3-aminochroman-8-carboxylate,
939758-88-0,
methyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate,
AKOS032961553,
3-Amino-chroman-8-carboxylic acid methyl ester 1HCl salt,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number