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Home > Nitro Compounds > 2625-27-6
2625-27-6 | 3,3-dimethyl-1-nitrobutane
CAS No: 2625-27-6 Catalog No: AG01EILY MDL No:
Product Description
Catalog Number:
AG01EILY
Chemical Name:
3,3-dimethyl-1-nitrobutane
CAS Number:
2625-27-6
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
IUPAC Name:
3,3-dimethyl-1-nitrobutane
InChI:
InChI=1S/C6H13NO2/c1-6(2,3)4-5-7(8)9/h4-5H2,1-3H3
InChI Key:
NHQJMPLFMPCOJO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCC(C)(C)C
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.175g/mol
Monoisotopic Mass:
131.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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