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Home > Other Heterocycles > 93101-68-9
93101-68-9 | 1-AZABICYCLO[2.2.2]OCT-2-EN-3-YLMETHYL 2-HYDROXY-3-METHYL-2-PHENYLBUTANOATE
CAS No: 93101-68-9 Catalog No: AG0065XO MDL No:
Product Description
Catalog Number:
AG0065XO
Chemical Name:
1-AZABICYCLO[2.2.2]OCT-2-EN-3-YLMETHYL 2-HYDROXY-3-METHYL-2-PHENYLBUTANOATE
CAS Number:
93101-68-9
Molecular Formula:
C19H25NO3
Molecular Weight:
315.4067
IUPAC Name:
1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate
InChI:
InChI=1S/C19H25NO3/c1-14(2)19(22,17-6-4-3-5-7-17)18(21)23-13-16-12-20-10-8-15(16)9-11-20/h3-7,12,14-15,22H,8-11,13H2,1-2H3
InChI Key:
HUXWLUVULBAHNX-UHFFFAOYSA-N
SMILES:
CC(C(c1ccccc1)(C(=O)OCC1=CN2CCC1CC2)O)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.183g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.413g/mol
Monoisotopic Mass:
315.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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