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Home > Nitro Compounds > 89727-77-5
89727-77-5 | 1-Propanone, 2,2-dimethyl-1-(5-nitro-1-naphthalenyl)-
CAS No: 89727-77-5 Catalog No: AG0041IG MDL No:
Product Description
Catalog Number:
AG0041IG
Chemical Name:
1-Propanone, 2,2-dimethyl-1-(5-nitro-1-naphthalenyl)-
CAS Number:
89727-77-5
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
2,2-dimethyl-1-(5-nitronaphthalen-1-yl)propan-1-one
InChI:
InChI=1S/C15H15NO3/c1-15(2,3)14(17)12-8-4-7-11-10(12)6-5-9-13(11)16(18)19/h4-9H,1-3H3
InChI Key:
ATYDZUAFAVCHIV-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)c1cccc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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