3-Isoxazolecarboxylic acid, 4-(1h-imidazol-1-ylmethyl)-5-methyl hydrochloride - CAS 1177339-58-0
Catalog: |
BB060500 |
Product Name: |
3-Isoxazolecarboxylic acid, 4-(1h-imidazol-1-ylmethyl)-5-methyl hydrochloride |
CAS: |
1177339-58-0 |
Synonyms: |
3-Isoxazolecarboxylic acid, 4-(1h-imidazol-1-ylmethyl)-5-methyl, HCl; 4-(imidazol-1-ylmethyl)-5-methyl-1,2-oxazole-3-carboxylic acid; hydrochloride; 3-ISOXAZOLECARBOXYLIC ACID, 4-(1H-IMIDAZOL-1-YLMETHYL)-5-METHYL HYDROCHLORIDE; 3-Isoxazolecarboxylicacid,4-(1h-imidazol-1-ylmethyl)-5-methyl,HCl; 4-(Imidazol-1-ylmethyl)-5-methylisoxazole-3-carboxylic acid hydrochloride |
IUPAC Name: | 4-(imidazol-1-ylmethyl)-5-methyl-1,2-oxazole-3-carboxylic acidhydrochloride |
Description: | 3-Isoxazolecarboxylic acid, 4-(1h-imidazol-1-ylmethyl)-5-methyl, HCl |
Molecular Weight: | 207.186+(36.46) |
Molecular Formula: | C9H9N3O3·HCl |
Canonical SMILES: | CC1=C(C(=NO1)C(=O)O)CN2C=CN=C2.Cl |
InChI: | InChI=1S/C9H9N3O3.ClH/c1-6-7(4-12-3-2-10-5-12)8(9(13)14)11-15-6/h2-3,5H,4H2,1H3,(H,13,14)1H |
InChI Key: | KNHJWIYSVMCEFJ-UHFFFAOYSA-N |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.0410689 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.0410689 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS