2-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid

2-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid

CAS: 902600-40-2

Formula: C12H10N2O4

SMILES: CC1=C(N=C(N1)C1=CC2=C(OCO2)C=C1)C(O)=O

IUPAC: 2-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid

InChI: InChI=1S/C12H10N2O4/c1-6-10(12(15)16)14-11(13-6)7-2-3-8-9(4-7)18-5-17-8/h2-4H,5H2,1H3,(H,13,14)(H,15,16)

Composition: C (58.54%), H (4.09%), N (11.38%), O (25.99%)

Molar Mass: 246.222

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	246.06405681
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	MZHPZXDTAPQVDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.92
Topological Polar Surface Area	84.44
Polarizability	24.03
Ring Count	3
Rotatable Bond Count	2

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