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Home > Nitro Compounds > 119163-54-1
119163-54-1 | 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-nitrophenyl)-
CAS No: 119163-54-1 Catalog No: AG000I9T MDL No:
Product Description
Catalog Number:
AG000I9T
Chemical Name:
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-nitrophenyl)-
CAS Number:
119163-54-1
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
1-(2,4-dihydroxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H11NO5/c17-12-6-7-13(15(19)9-12)14(18)8-3-10-1-4-11(5-2-10)16(20)21/h1-9,17,19H
InChI Key:
XRAHHIWSKGILGK-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)C=Cc1ccc(cc1)[N+](=O)[O-]
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:
2
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Substituent effects in the BF3-mediated acylation of phenols with cinnamic acids. | Natural product research 20031001 |
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