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89781-89-5 | 7-(1H-Imidazol-1-yl)-5,6-dihydro-2-naphthalenemethanol
CAS No: 89781-89-5 Catalog No: AG00871Z MDL No:
Product Description
Catalog Number:
AG00871Z
Chemical Name:
7-(1H-Imidazol-1-yl)-5,6-dihydro-2-naphthalenemethanol
CAS Number:
89781-89-5
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)methanol
InChI:
InChI=1S/C14H14N2O/c17-9-11-1-2-12-3-4-14(8-13(12)7-11)16-6-5-15-10-16/h1-2,5-8,10,17H,3-4,9H2
InChI Key:
WRMDZKWCUFEOTK-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)C=C(CC2)n1cncc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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