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Home > Nitro Compounds > 338418-33-0
338418-33-0 | N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzamide
CAS No: 338418-33-0 Catalog No: AG00IY4T MDL No:MFCD00139817
Product Description
Catalog Number:
AG00IY4T
Chemical Name:
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzamide
CAS Number:
338418-33-0
Molecular Formula:
C15H12N2O6
Molecular Weight:
316.2656
MDL Number:
MFCD00139817
IUPAC Name:
N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-nitrobenzamide
InChI:
InChI=1S/C15H12N2O6/c1-8(18)12-7-13(15(20)23-9(12)2)16-14(19)10-3-5-11(6-4-10)17(21)22/h3-7H,1-2H3,(H,16,19)
InChI Key:
GDHHNKUNAYRGOI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1cc(C(=O)C)c(oc1=O)C
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.07g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.269g/mol
Monoisotopic Mass:
316.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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