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4,5-dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

4,5-dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

CAS: 124750-59-0

Formula: C10H14N2O4

SMILES: CCCC1=NC(C(=O)OC)=C(N1)C(=O)OC

IUPAC: 4,5-dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

InChI: InChI=1S/C10H14N2O4/c1-4-5-6-11-7(9(13)15-2)8(12-6)10(14)16-3/h4-5H2,1-3H3,(H,11,12)

Composition: C (53.09%), H (6.24%), N (12.38%), O (28.29%)

Molar Mass: 226.232

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 226.095356939
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FGBHVVBYDOTMMD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.24
Topological Polar Surface Area 81.28
Polarizability 21.56
Ring Count 1
Rotatable Bond Count 6

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