Structure Info
- Chemspace ID
- CSMB00011213315 (Enamine MADE)
- CAS
- 20197-76-6
- MFCD
- MFCD03724048
- IUPAC Name
- methyl 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylate
- Mol formula
- C10H11NO4
- Mol weight
- 209 Da
- Catalog Number(s)
- 6813AD, A019096179, A982022, AA0027W3, AB03439, AG0027YV, AG256399, AGNPC-0KPTW2, BBV-29350078, BD282625, CD11169385, CS-0449305, CSC011213315, EN300-2008337, F030858, FCH5645830, G73262, HFC9937, HY-W337979, LAN-B37404, LN00121406, LQT-B37473, M878263, OR318105, VAA19776, Y222313, Y3185367, ZX-AX003013, ZXC252027, s_1458_477984_483916, s_1458____477984____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.31
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.3
- Polar surface area (Å)
- 71
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00011213315
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