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Home > Other Heterocycles > 101931-78-6
101931-78-6 | 3-Pentynoic acid, 2-hydroxy-2-(1-methylethyl)-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 101931-78-6 Catalog No: AG000600 MDL No:
Product Description
Catalog Number:
AG000600
Chemical Name:
3-Pentynoic acid, 2-hydroxy-2-(1-methylethyl)-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
101931-78-6
Molecular Formula:
C15H23NO3
Molecular Weight:
265.3480
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-propan-2-ylpent-3-ynoate
InChI:
InChI=1S/C15H23NO3/c1-4-7-15(18,11(2)3)14(17)19-13-10-16-8-5-12(13)6-9-16/h11-13,18H,5-6,8-10H2,1-3H3
InChI Key:
PIQGPSJRLJWWML-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)OC1CN2CCC1CC2)(C#CC)O)C
NSC Number:
665761
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.353g/mol
Monoisotopic Mass:
265.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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