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Home > Other Heterocycles > 93778-72-4
93778-72-4 | 1-[3-[bicyclo[2.2.1]hept-5-en-2-yl]-3-oxopropyl]piperidinium hydrogen oxalate
CAS No: 93778-72-4 Catalog No: AG00H0L9 MDL No:
Product Description
Catalog Number:
AG00H0L9
Chemical Name:
1-[3-[bicyclo[2.2.1]hept-5-en-2-yl]-3-oxopropyl]piperidinium hydrogen oxalate
CAS Number:
93778-72-4
IUPAC Name:
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ium-1-ylpropan-1-one;2-hydroxy-2-oxoacetate
InChI:
InChI=1S/C15H23NO.C2H2O4/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12;3-1(4)2(5)6/h4-5,12-14H,1-3,6-11H2;(H,3,4)(H,5,6)
InChI Key:
DBNZFHIBCZETBL-UHFFFAOYSA-N
EC Number:
298-207-6
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.389g/mol
Monoisotopic Mass:
323.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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