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89781-86-2 | Ethyl 7-(1H-imidazol-1-yl)-5,6-dihydro-2-naphthalenecarboxylate
CAS No: 89781-86-2 Catalog No: AG003ZZU MDL No:
Product Description
Catalog Number:
AG003ZZU
Chemical Name:
Ethyl 7-(1H-imidazol-1-yl)-5,6-dihydro-2-naphthalenecarboxylate
CAS Number:
89781-86-2
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
ethyl 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylate
InChI:
InChI=1S/C16H16N2O2/c1-2-20-16(19)13-4-3-12-5-6-15(10-14(12)9-13)18-8-7-17-11-18/h3-4,7-11H,2,5-6H2,1H3
InChI Key:
HUZBRJVXYZZTRG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)C=C(CC2)n1cncc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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