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56666-50-3

56666-50-3 | 6-Nitrotricyclo[2.2.1.01,4]heptan-2-one

CAS No: 56666-50-3 Catalog No: AG00F0E9 MDL No:

Product Description

Catalog Number:
AG00F0E9
Chemical Name:
6-Nitrotricyclo[2.2.1.01,4]heptan-2-one
CAS Number:
56666-50-3
IUPAC Name:
6-nitrotricyclo[2.2.1.01,4]heptan-2-one
InChI:
InChI=1S/C7H7NO3/c9-5-2-6-1-4(8(10)11)7(5,6)3-6/h4H,1-3H2
InChI Key:
CJHXZSNHHVZUOA-UHFFFAOYSA-N

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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