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Home > Nitro Compounds > 88238-91-9
88238-91-9 | Undecanoic acid, 4-nitro-5-oxo-, methyl ester
CAS No: 88238-91-9 Catalog No: AG004B1T MDL No:
Product Description
Catalog Number:
AG004B1T
Chemical Name:
Undecanoic acid, 4-nitro-5-oxo-, methyl ester
CAS Number:
88238-91-9
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
IUPAC Name:
methyl 4-nitro-5-oxoundecanoate
InChI:
InChI=1S/C12H21NO5/c1-3-4-5-6-7-11(14)10(13(16)17)8-9-12(15)18-2/h10H,3-9H2,1-2H3
InChI Key:
MPUVXGUDWHKKGA-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C([N+](=O)[O-])CCC(=O)OC
Properties
Complexity:
285
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:
10
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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