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Home > Other Heterocycles > 69365-80-6
69365-80-6 | N-CARBAMOYLBICYCLO[2.2.1]HEPT-2-ENE-6-CARBOXAMIDE
CAS No: 69365-80-6 Catalog No: AG0060B6 MDL No:
Product Description
Catalog Number:
AG0060B6
Chemical Name:
N-CARBAMOYLBICYCLO[2.2.1]HEPT-2-ENE-6-CARBOXAMIDE
CAS Number:
69365-80-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
N-carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxamide
InChI:
InChI=1S/C9H12N2O2/c10-9(13)11-8(12)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H3,10,11,12,13)
InChI Key:
GQYJLPYNCIWWBL-UHFFFAOYSA-N
SMILES:
NC(=O)NC(=O)C1CC2CC1C=C2
Properties
Complexity:
285
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:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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