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Home > Imidazoles > 142739-28-4
142739-28-4 | Spiro[2.5]octan-4-ol, 4-(1H-imidazol-1-ylmethyl)-1-(2-methoxyphenyl)-
CAS No: 142739-28-4 Catalog No: AG006XJ4 MDL No:
Product Description
Catalog Number:
AG006XJ4
Chemical Name:
Spiro[2.5]octan-4-ol, 4-(1H-imidazol-1-ylmethyl)-1-(2-methoxyphenyl)-
CAS Number:
142739-28-4
Molecular Formula:
C19H24N2O2
Molecular Weight:
312.4061
IUPAC Name:
8-(imidazol-1-ylmethyl)-2-(2-methoxyphenyl)spiro[2.5]octan-8-ol
InChI:
InChI=1S/C19H24N2O2/c1-23-17-7-3-2-6-15(17)16-12-18(16)8-4-5-9-19(18,22)13-21-11-10-20-14-21/h2-3,6-7,10-11,14,16,22H,4-5,8-9,12-13H2,1H3
InChI Key:
YUIUULOKCPGERC-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1CC21CCCCC2(O)Cn1cncc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.413g/mol
Monoisotopic Mass:
312.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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