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Home > Other Heterocycles > 1860028-31-4
1860028-31-4 | bis(2-azabicyclo[2.2.1]hept-5-ene); oxalic acid
CAS No: 1860028-31-4 Catalog No: AG00I1Q7 MDL No:MFCD29918564
Product Description
Catalog Number:
AG00I1Q7
Chemical Name:
bis(2-azabicyclo[2.2.1]hept-5-ene); oxalic acid
CAS Number:
1860028-31-4
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
MDL Number:
MFCD29918564
IUPAC Name:
2-azabicyclo[2.2.1]hept-5-ene;oxalic acid
InChI:
InChI=1S/2C6H9N.C2H2O4/c2*1-2-6-3-5(1)4-7-6;3-1(4)2(5)6/h2*1-2,5-7H,3-4H2;(H,3,4)(H,5,6)
InChI Key:
LHAUUSJAWPOZPC-UHFFFAOYSA-N
SMILES:
N1CC2CC1C=C2.N1CC2CC1C=C2.OC(=O)C(=O)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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