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Home > Nitro Compounds > 88226-45-3
88226-45-3 | 3-Nonanone, 4-[(acetyloxy)methyl]-4-nitro-
CAS No: 88226-45-3 Catalog No: AG004D1E MDL No:
Product Description
Catalog Number:
AG004D1E
Chemical Name:
3-Nonanone, 4-[(acetyloxy)methyl]-4-nitro-
CAS Number:
88226-45-3
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
IUPAC Name:
(2-nitro-2-propanoylheptyl) acetate
InChI:
InChI=1S/C12H21NO5/c1-4-6-7-8-12(13(16)17,11(15)5-2)9-18-10(3)14/h4-9H2,1-3H3
InChI Key:
GPWPAJLHNZXCKQ-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)CC)([N+](=O)[O-])COC(=O)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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