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477886-62-7 | 4-hydroxy-6-methyl-3-[(1E)-[2-(3-nitrophenyl)hydrazin-1-ylidene]methyl]-2H-pyran-2-one
CAS No: 477886-62-7 Catalog No: AG00IOY9 MDL No:MFCD00794169
Product Description
Catalog Number:
AG00IOY9
Chemical Name:
4-hydroxy-6-methyl-3-[(1E)-[2-(3-nitrophenyl)hydrazin-1-ylidene]methyl]-2H-pyran-2-one
CAS Number:
477886-62-7
Molecular Formula:
C13H11N3O5
Molecular Weight:
289.2435
MDL Number:
MFCD00794169
IUPAC Name:
4-hydroxy-6-methyl-3-[[(3-nitrophenyl)hydrazinylidene]methyl]pyran-2-one
InChI:
InChI=1S/C13H11N3O5/c1-8-5-12(17)11(13(18)21-8)7-14-15-9-3-2-4-10(6-9)16(19)20/h2-7,15,17H,1H3
InChI Key:
RNVYLXAZZKSHOK-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(=O)o1)/C=N/Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.247g/mol
Monoisotopic Mass:
289.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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