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Home > Nitro Compounds > 189814-64-0
189814-64-0 | 1-Pentanone, 4-methyl-4-nitro-1,3-diphenyl-, (3S)-
CAS No: 189814-64-0 Catalog No: AG002E0J MDL No:
Product Description
Catalog Number:
AG002E0J
Chemical Name:
1-Pentanone, 4-methyl-4-nitro-1,3-diphenyl-, (3S)-
CAS Number:
189814-64-0
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
(3S)-4-methyl-4-nitro-1,3-diphenylpentan-1-one
InChI:
InChI=1S/C18H19NO3/c1-18(2,19(21)22)16(14-9-5-3-6-10-14)13-17(20)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/t16-/m0/s1
InChI Key:
VEXAKCOKTKNMLZ-INIZCTEOSA-N
SMILES:
O=C(c1ccccc1)C[C@H](C([N+](=O)[O-])(C)C)c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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