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Home > Nitro Compounds > 82628-82-8
82628-82-8 | 3-(4-Nitrophenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CAS No: 82628-82-8 Catalog No: AG0052HB MDL No:
Product Description
Catalog Number:
AG0052HB
Chemical Name:
3-(4-Nitrophenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CAS Number:
82628-82-8
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
3-(4-nitrophenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI:
InChI=1S/C15H13NO6/c17-11-7-13(19)15(14(20)8-11)12(18)6-3-9-1-4-10(5-2-9)16(21)22/h1-2,4-5,7-8,17,19-20H,3,6H2
InChI Key:
VCSSZOJJYHKTRY-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c(c1)O)C(=O)CCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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