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Home > Imidazoles > 893742-39-7
893742-39-7 | 5-[(2-ethyl-1H-imidazol-1-yl)methyl]-2-furoic acid
CAS No: 893742-39-7 Catalog No: AG00JDBD MDL No:MFCD06803266
Product Description
Catalog Number:
AG00JDBD
Chemical Name:
5-[(2-ethyl-1H-imidazol-1-yl)methyl]-2-furoic acid
CAS Number:
893742-39-7
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD06803266
IUPAC Name:
5-[(2-ethylimidazol-1-yl)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c1-2-10-12-5-6-13(10)7-8-3-4-9(16-8)11(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChI Key:
JYNOYIGZKBPSAQ-UHFFFAOYSA-N
SMILES:
CCc1nccn1Cc1ccc(o1)C(=O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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