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Home > Nitro Compounds > 35869-41-1
35869-41-1 | 3,3-dimethyl-1-nitrobutan-2-one
CAS No: 35869-41-1 Catalog No: AG01C2PB MDL No:MFCD26516543
Product Description
Catalog Number:
AG01C2PB
Chemical Name:
3,3-dimethyl-1-nitrobutan-2-one
CAS Number:
35869-41-1
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
MDL Number:
MFCD26516543
IUPAC Name:
3,3-dimethyl-1-nitrobutan-2-one
InChI:
InChI=1S/C6H11NO3/c1-6(2,3)5(8)4-7(9)10/h4H2,1-3H3
InChI Key:
BCYLCSLKKORMNV-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)C[N+](=O)[O-]
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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