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Home > Nitro Compounds > 854691-94-4
854691-94-4 | 1-Propanone, 3-hydroxy-1-(4-methoxyphenyl)-3-(2-nitrophenyl)-
CAS No: 854691-94-4 Catalog No: AG004SAO MDL No:
Product Description
Catalog Number:
AG004SAO
Chemical Name:
1-Propanone, 3-hydroxy-1-(4-methoxyphenyl)-3-(2-nitrophenyl)-
CAS Number:
854691-94-4
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
IUPAC Name:
3-hydroxy-1-(4-methoxyphenyl)-3-(2-nitrophenyl)propan-1-one
InChI:
InChI=1S/C16H15NO5/c1-22-12-8-6-11(7-9-12)15(18)10-16(19)13-4-2-3-5-14(13)17(20)21/h2-9,16,19H,10H2,1H3
InChI Key:
FFYQSUJSKCIYNX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC(c1ccccc1[N+](=O)[O-])O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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