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30344-80-0

30344-80-0 | Pentane, 2,4,4-trimethyl-1-nitro-

CAS No: 30344-80-0 Catalog No: AG002ZU1 MDL No:

Product Description

Catalog Number:
AG002ZU1
Chemical Name:
Pentane, 2,4,4-trimethyl-1-nitro-
CAS Number:
30344-80-0
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
IUPAC Name:
2,4,4-trimethyl-1-nitropentane
InChI:
InChI=1S/C8H17NO2/c1-7(6-9(10)11)5-8(2,3)4/h7H,5-6H2,1-4H3
InChI Key:
VVYPYOYAMZYUCF-UHFFFAOYSA-N
SMILES:
CC(CC(C)(C)C)C[N+](=O)[O-]

Properties

Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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