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Home > Other Heterocycles > 83968-13-2
83968-13-2 | BICYCLO[3.2.0]HEPT-2-EN-6-ONE SEMICARBAZONE
CAS No: 83968-13-2 Catalog No: AG0052RV MDL No:
Product Description
Catalog Number:
AG0052RV
Chemical Name:
BICYCLO[3.2.0]HEPT-2-EN-6-ONE SEMICARBAZONE
CAS Number:
83968-13-2
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
IUPAC Name:
(6-bicyclo[3.2.0]hept-2-enylideneamino)urea
InChI:
InChI=1S/C8H11N3O/c9-8(12)11-10-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2,(H3,9,11,12)
InChI Key:
HKGVZQYBLDKGPG-UHFFFAOYSA-N
SMILES:
NC(=O)NN=C1CC2C1CC=C2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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