methyl 3-(1H-imidazol-4-yl)propanoate

methyl 3-(1H-imidazol-4-yl)propanoate

CAS: 31434-93-2

Formula: C7H10N2O2

SMILES: COC(=O)CCC1=CNC=N1

IUPAC: methyl 3-(1H-imidazol-4-yl)propanoate

InChI: InChI=1S/C7H10N2O2/c1-11-7(10)3-2-6-4-8-5-9-6/h4-5H,2-3H2,1H3,(H,8,9)

Composition: C (54.54%), H (6.54%), N (18.17%), O (20.76%)

Molar Mass: 154.169

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.07422757
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YFEPBWKUBQUBKL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.27
Topological Polar Surface Area	54.98
Polarizability	15.31
Ring Count	1
Rotatable Bond Count	4

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