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Home > Nitro Compounds > 2900-76-7
2900-76-7 | Acrylonitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-(p-nitrophenyl)-, (Z)- (8CI)
CAS No: 2900-76-7 Catalog No: AG002V6X MDL No:
Product Description
Catalog Number:
AG002V6X
Chemical Name:
Acrylonitrile, 3-(4-hydroxy-3-methoxyphenyl)-2-(p-nitrophenyl)-, (Z)- (8CI)
CAS Number:
2900-76-7
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
3-(4-hydroxy-3-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C16H12N2O4/c1-22-16-9-11(2-7-15(16)19)8-13(10-17)12-3-5-14(6-4-12)18(20)21/h2-9,19H,1H3
InChI Key:
PTCJOUIYZWHSJX-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccc(c(c1)OC)O)/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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