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Home > Other Heterocycles > 84846-21-9
84846-21-9 | Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CAS No: 84846-21-9 Catalog No: AG004N3W MDL No:
Product Description
Catalog Number:
AG004N3W
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CAS Number:
84846-21-9
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
InChI:
InChI=1S/C9H12N2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-7H,3H2,(H2,10,12)(H2,11,13)
InChI Key:
DVDVFJQUNHPDBG-UHFFFAOYSA-N
SMILES:
NC(=O)C1C2C=CC(C1C(=O)N)C2
NSC Number:
237773
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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