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Home > Imidazoles > 85928-58-1
85928-58-1 | 1(2H)-Naphthalenone, 3,4-dihydro-2-(1H-imidazol-1-yl)-7-methoxy-
CAS No: 85928-58-1 Catalog No: AG008G0D MDL No:
Product Description
Catalog Number:
AG008G0D
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-2-(1H-imidazol-1-yl)-7-methoxy-
CAS Number:
85928-58-1
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
2-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C14H14N2O2/c1-18-11-4-2-10-3-5-13(14(17)12(10)8-11)16-7-6-15-9-16/h2,4,6-9,13H,3,5H2,1H3
InChI Key:
YJKMDICXRKMSFW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)C(CC2)n1cncc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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