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89781-74-8 | 1H-Imidazole, 1-(2H-1-benzopyran-3-yl)-
CAS No: 89781-74-8 Catalog No: AG003ZZV MDL No:
Product Description
Catalog Number:
AG003ZZV
Chemical Name:
1H-Imidazole, 1-(2H-1-benzopyran-3-yl)-
CAS Number:
89781-74-8
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
1-(2H-chromen-3-yl)imidazole
InChI:
InChI=1S/C12H10N2O/c1-2-4-12-10(3-1)7-11(8-15-12)14-6-5-13-9-14/h1-7,9H,8H2
InChI Key:
ZNTZYZTUMRXBMY-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C=C(CO2)n1cncc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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