CAS
9025-84-7 Purity
96%
9025-84-7 Purity
96%
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2-Benzo[1,3]dioxol-5-yl-5-methyl-3H-imidazole-4-carboxylic acid
CAS
902600-40-2
Catalog Number
ACM902600402
Category
Other Products
Molecular Weight
246.22
Molecular Formula
C12H10N2O4
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Specification
Synonyms
2-BENZO[1,3]DIOXOL-5-YL-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID
What is the molecular formula of the compound?
The molecular formula of the compound is C12H10N2O4.
What is the molecular weight of the compound?
The molecular weight of the compound is 246.22 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is 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).
What is the InChIKey of the compound?
The InChIKey of the compound is MZHPZXDTAPQVDZ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=C(N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 902600-40-2.
What is the ChEMBL ID of the compound?
The ChEMBL ID of the compound is CHEMBL1540427.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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