3-(Dimethylamino)-1-(4-nitrophenyl)-2-propen-1-one - CAS 68760-11-2
Catalog: |
BB033627 |
Product Name: |
3-(Dimethylamino)-1-(4-nitrophenyl)-2-propen-1-one |
CAS: |
68760-11-2 |
Synonyms: |
(E)-3-(dimethylamino)-1-(4-nitrophenyl)-2-propen-1-one; (E)-3-(dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one |
IUPAC Name: | (E)-3-(dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one |
Description: | 3-(Dimethylamino)-1-(4-nitrophenyl)-2-propen-1-one (CAS# 68760-11-2) is a useful research chemical. |
Molecular Weight: | 220.22 |
Molecular Formula: | C11H12N2O3 |
Canonical SMILES: | CN(C)C=CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C11H12N2O3/c1-12(2)8-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-8H,1-2H3/b8-7+ |
InChI Key: | LIOPOMJNIUNMRH-BQYQJAHWSA-N |
LogP: | 2.37600 |
Publication Number | Title | Priority Date |
KR-20200062403-A | Novel 4-carbonylamino-4-phenylpyrimidine compound or pharmaceutically acceptable salts thereof | 20181126 |
WO-2020111283-A1 | Novel 4-carbonylamino-4-phenylpyrimidine compound or pharmaceutically acceptable salt thereof | 20181126 |
EP-3204009-A1 | Heparan sulfate biosynthesis inhibitors for the treatment of diseases | 20141009 |
WO-2016057834-A1 | Heparan sulfate biosynthesis inhibitors for the treatment of diseases | 20141009 |
WO-2016057834-A9 | Heparan sulfate biosynthesis inhibitors for the treatment of diseases | 20141009 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 220.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.08479225 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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