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Home > Other Heterocycles > 1523606-41-8
1523606-41-8 | (1S,4S)-2-Oxa-5-azabicyclo[2.2.2]octane; (1R,4R)-2-oxa-5-azabicyclo[2.2.2]octane; oxalic acid
CAS No: 1523606-41-8 Catalog No: AG00IKP9 MDL No:MFCD27988026
Product Description
Catalog Number:
AG00IKP9
Chemical Name:
(1S,4S)-2-Oxa-5-azabicyclo[2.2.2]octane; (1R,4R)-2-oxa-5-azabicyclo[2.2.2]octane; oxalic acid
CAS Number:
1523606-41-8
Molecular Formula:
C14H24N2O6
Molecular Weight:
316.3502
MDL Number:
MFCD27988026
IUPAC Name:
2-oxa-5-azabicyclo[2.2.2]octane;oxalic acid
InChI:
InChI=1S/2C6H11NO.C2H2O4/c2*1-2-6-3-7-5(1)4-8-6;3-1(4)2(5)6/h2*5-7H,1-4H2;(H,3,4)(H,5,6)
InChI Key:
PWHSLHBTQUHNGP-UHFFFAOYSA-N
SMILES:
C1CC2NCC1OC2.C1CC2NCC1OC2.OC(=O)C(=O)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
316.354g/mol
Monoisotopic Mass:
316.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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