4,5-dimethyl 1H-imidazole-4,5-dicarboxylate

4,5-dimethyl 1H-imidazole-4,5-dicarboxylate

CAS: 3304-70-9

Formula: C7H8N2O4

SMILES: COC(=O)C1=C(N=CN1)C(=O)OC

IUPAC: 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate

InChI: InChI=1S/C7H8N2O4/c1-12-6(10)4-5(7(11)13-2)9-3-8-4/h3H,1-2H3,(H,8,9)

Composition: C (45.66%), H (4.38%), N (15.21%), O (34.75%)

Molar Mass: 184.151

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.048406746
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CUIWFAXEALIQJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.57
Topological Polar Surface Area	81.28
Polarizability	16.19
Ring Count	1
Rotatable Bond Count	4

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