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methyl 2-(oxan-4-yl)-1H-imidazole-4-carboxylate

methyl 2-(oxan-4-yl)-1H-imidazole-4-carboxylate

CAS: 1250150-10-7

Formula: C10H14N2O3

SMILES: COC(=O)C1=CNC(=N1)C1CCOCC1

IUPAC: methyl 2-(oxan-4-yl)-1H-imidazole-4-carboxylate

InChI: InChI=1S/C10H14N2O3/c1-14-10(13)8-6-11-9(12-8)7-2-4-15-5-3-7/h6-7H,2-5H2,1H3,(H,11,12)

Composition: C (57.13%), H (6.71%), N (13.33%), O (22.83%)

Molar Mass: 210.233

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.100442319
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey STLRLEPDICMOTE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.86
Topological Polar Surface Area 64.21
Polarizability 20.73
Ring Count 2
Rotatable Bond Count 3

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