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Home > Other Heterocycles > 1523530-74-6
1523530-74-6 | (1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane hemioxalate
CAS No: 1523530-74-6 Catalog No: AG00HXZ8 MDL No:MFCD27988025
Product Description
Catalog Number:
AG00HXZ8
Chemical Name:
(1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane hemioxalate
CAS Number:
1523530-74-6
Molecular Formula:
C12H20N2O6
Molecular Weight:
288.2970
MDL Number:
MFCD27988025
IUPAC Name:
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;oxalic acid
InChI:
InChI=1S/2C5H9NO.C2H2O4/c2*1-4-3-7-5(1)2-6-4;3-1(4)2(5)6/h2*4-6H,1-3H2;(H,3,4)(H,5,6)/t2*4-,5-;/m11./s1
InChI Key:
YNSNAVAMSHBSLQ-KKXFCUFMSA-N
SMILES:
C1O[C@@H]2C[C@H]1NC2.C1O[C@@H]2C[C@H]1NC2.OC(=O)C(=O)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
288.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
288.3g/mol
Monoisotopic Mass:
288.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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