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89782-13-8 | 1H-Indene-5-carboxylic acid, 2-(1H-imidazol-1-yl)-
CAS No: 89782-13-8 Catalog No: AG004090 MDL No:
Product Description
Catalog Number:
AG004090
Chemical Name:
1H-Indene-5-carboxylic acid, 2-(1H-imidazol-1-yl)-
CAS Number:
89782-13-8
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
2-imidazol-1-yl-1H-indene-5-carboxylic acid
InChI:
InChI=1S/C13H10N2O2/c16-13(17)10-2-1-9-6-12(7-11(9)5-10)15-4-3-14-8-15/h1-5,7-8H,6H2,(H,16,17)
InChI Key:
HJNWDTQJCFSHPP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C=C(C2)n1cncc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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