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1016763-10-2 | 5-[(2-Methyl-1H-benzimidazol-1-yl)methyl]-2-furoic acid
CAS No: 1016763-10-2 Catalog No: AG01AR1S MDL No:MFCD06444799
Product Description
Catalog Number:
AG01AR1S
Chemical Name:
5-[(2-Methyl-1H-benzimidazol-1-yl)methyl]-2-furoic acid
CAS Number:
1016763-10-2
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD06444799
IUPAC Name:
5-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C14H12N2O3/c1-9-15-11-4-2-3-5-12(11)16(9)8-10-6-7-13(19-10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChI Key:
PGWJUOYOMPCBSO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)Cn1c(C)nc2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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