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Home > Nitro Compounds > 84634-64-0
84634-64-0 | 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(4-nitrophenyl)-
CAS No: 84634-64-0 Catalog No: AG00510J MDL No:
Product Description
Catalog Number:
AG00510J
Chemical Name:
1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(4-nitrophenyl)-
CAS Number:
84634-64-0
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
1-(2-hydroxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione
InChI:
InChI=1S/C15H11NO5/c17-13-4-2-1-3-12(13)15(19)9-14(18)10-5-7-11(8-6-10)16(20)21/h1-8,17H,9H2
InChI Key:
OYIDOCMQUYZZDA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])CC(=O)c1ccccc1O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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