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13154-29-5

13154-29-5 | Cyclononanone, 2-nitro-

CAS No: 13154-29-5 Catalog No: AG000ZE4 MDL No:

Product Description

Catalog Number:
AG000ZE4
Chemical Name:
Cyclononanone, 2-nitro-
CAS Number:
13154-29-5
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
2-nitrocyclononan-1-one
InChI:
InChI=1S/C9H15NO3/c11-9-7-5-3-1-2-4-6-8(9)10(12)13/h8H,1-7H2
InChI Key:
BDOPHVQWVPKYFT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCCCCCCC1=O

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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