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Home Nitros 5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone

5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone

CAS No.:
1187055-95-3
Catalog Number:
AG0099NO
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$336
- +
250mg
95%
In Stock USA
United States
$609
- +
1g
95%
In Stock USA
United States
$1218
- +
Product Description
Catalog Number:
AG0099NO
Chemical Name:
5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone
CAS Number:
1187055-95-3
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD29917034
IUPAC Name:
5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C12H12N2O3/c1-8-4-9(6-10(15)5-8)11-2-3-13-7-12(11)14(16)17/h2-3,6-8H,4-5H2,1H3
InChI Key:
RHNNTVMBECGTHN-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C=C(C1)c1ccncc1[N+](=O)[O-]
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties