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2555-25-1

2555-25-1 | 2H-1-Benzopyran-2-one, 3-(4-nitrophenyl)-

CAS No: 2555-25-1 Catalog No: AG00I4VB MDL No:

Product Description

Catalog Number:
AG00I4VB
Chemical Name:
2H-1-Benzopyran-2-one, 3-(4-nitrophenyl)-
CAS Number:
2555-25-1
IUPAC Name:
3-(4-nitrophenyl)chromen-2-one
InChI:
InChI=1S/C15H9NO4/c17-15-13(9-11-3-1-2-4-14(11)20-15)10-5-7-12(8-6-10)16(18)19/h1-9H
InChI Key:
GATDYELJYSMQPH-UHFFFAOYSA-N

Properties

Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.053g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.24g/mol
Monoisotopic Mass:
267.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Literature

Title Journal
Design, synthesis, and evaluation of coumarin-based molecular probes for imaging of myelination. Journal of medicinal chemistry 20110414

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