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Home > Imidazoles > 893742-36-4
893742-36-4 | 5-[(2-methyl-1H-imidazol-1-yl)methyl]-2-furoic acid
CAS No: 893742-36-4 Catalog No: AG00JDBC MDL No:MFCD06803265
Product Description
Catalog Number:
AG00JDBC
Chemical Name:
5-[(2-methyl-1H-imidazol-1-yl)methyl]-2-furoic acid
CAS Number:
893742-36-4
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD06803265
IUPAC Name:
5-[(2-methylimidazol-1-yl)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C10H10N2O3/c1-7-11-4-5-12(7)6-8-2-3-9(15-8)10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChI Key:
GQNJZXWAYAGYQI-UHFFFAOYSA-N
SMILES:
Cc1nccn1Cc1ccc(o1)C(=O)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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