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1267956-72-8

1267956-72-8 | 3-Methyl-1-(3-nitrophenyl)butan-1-one

CAS No: 1267956-72-8 Catalog No: AG00HRKM MDL No:

Product Description

Catalog Number:
AG00HRKM
Chemical Name:
3-Methyl-1-(3-nitrophenyl)butan-1-one
CAS Number:
1267956-72-8
IUPAC Name:
3-methyl-1-(3-nitrophenyl)butan-1-one
InChI:
InChI=1S/C11H13NO3/c1-8(2)6-11(13)9-4-3-5-10(7-9)12(14)15/h3-5,7-8H,6H2,1-2H3
InChI Key:
UCYAAGQRJQBBSU-UHFFFAOYSA-N

Properties

Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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