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13154-27-3

13154-27-3 | Cycloheptanone, 2-nitro-

CAS No: 13154-27-3 Catalog No: AG000ZE5 MDL No:

Product Description

Catalog Number:
AG000ZE5
Chemical Name:
Cycloheptanone, 2-nitro-
CAS Number:
13154-27-3
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
IUPAC Name:
2-nitrocycloheptan-1-one
InChI:
InChI=1S/C7H11NO3/c9-7-5-3-1-2-4-6(7)8(10)11/h6H,1-5H2
InChI Key:
UHRUAPNWENGYTC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCCCCC1=O

Properties

Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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