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Home > Nitro Compounds > 2060047-30-3
2060047-30-3 | 4-methyl-2-(2-nitrophenyl)-3-oxopentanenitrile
CAS No: 2060047-30-3 Catalog No: AG01BP3K MDL No:MFCD30499845
Product Description
Catalog Number:
AG01BP3K
Chemical Name:
4-methyl-2-(2-nitrophenyl)-3-oxopentanenitrile
CAS Number:
2060047-30-3
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD30499845
IUPAC Name:
4-methyl-2-(2-nitrophenyl)-3-oxopentanenitrile
InChI:
InChI=1S/C12H12N2O3/c1-8(2)12(15)10(7-13)9-5-3-4-6-11(9)14(16)17/h3-6,8,10H,1-2H3
InChI Key:
UKTNMUVREWHSPE-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1[N+](=O)[O-])C(=O)C(C)C
Properties
Complexity:
351
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:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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