methyl 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylate

methyl 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylate

CAS: 20197-76-6

Formula: C10H11NO4

SMILES: COC(=O)C1=CC2=C(OCCO2)C=C1N

IUPAC: methyl 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylate

InChI: InChI=1S/C10H11NO4/c1-13-10(12)6-4-8-9(5-7(6)11)15-3-2-14-8/h4-5H,2-3,11H2,1H3

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.068807838
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FOTPSTARXZXRFU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.74
Topological Polar Surface Area	70.78
Polarizability	20.26
Ring Count	2
Rotatable Bond Count	2

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