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Home > Nitro Compounds > 873692-37-6
873692-37-6 | 2-Pentanone, 3-(1-methylethyl)-5-nitro-4-phenyl-, (3S,4R)-
CAS No: 873692-37-6 Catalog No: AG004KOJ MDL No:
Product Description
Catalog Number:
AG004KOJ
Chemical Name:
2-Pentanone, 3-(1-methylethyl)-5-nitro-4-phenyl-, (3S,4R)-
CAS Number:
873692-37-6
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
(3S,4R)-5-nitro-4-phenyl-3-propan-2-ylpentan-2-one
InChI:
InChI=1S/C14H19NO3/c1-10(2)14(11(3)16)13(9-15(17)18)12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3/t13-,14+/m0/s1
InChI Key:
RUFHUDAMEOLQMQ-UONOGXRCSA-N
SMILES:
[O-][N+](=O)C[C@H]([C@@H](C(=O)C)C(C)C)c1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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