1,3-dimethyl 5-aminobenzene-1,3-dicarboxylate

1,3-dimethyl 5-aminobenzene-1,3-dicarboxylate

CAS: 99-27-4

Formula: C10H11NO4

SMILES: COC(=O)C1=CC(=CC(N)=C1)C(=O)OC

IUPAC: 1,3-dimethyl 5-aminobenzene-1,3-dicarboxylate

InChI: InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3

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	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DEKPYXUDJRABNK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.81
Topological Polar Surface Area	78.62
Polarizability	20.37
Ring Count	1
Rotatable Bond Count	4

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