Home Nitros 4-methyl-4-nitropentanoic acid

4-methyl-4-nitropentanoic acid

CAS No.:
32827-16-0
Catalog Number:
AG00D0WE
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
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Product Description
Catalog Number:
AG00D0WE
Chemical Name:
4-methyl-4-nitropentanoic acid
CAS Number:
32827-16-0
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
MDL Number:
MFCD11168308
IUPAC Name:
4-methyl-4-nitropentanoic acid
InChI:
InChI=1S/C6H11NO4/c1-6(2,7(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
InChI Key:
KHKJLJHJTQRHSA-UHFFFAOYSA-N
SMILES:
OC(=O)CCC([N+](=O)[O-])(C)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties