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Home > Other Heterocycles > 287194-37-0
287194-37-0 | Benzamide, N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxy-
CAS No: 287194-37-0 Catalog No: AG002W96 MDL No:
Product Description
Catalog Number:
AG002W96
Chemical Name:
Benzamide, N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxy-
CAS Number:
287194-37-0
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
IUPAC Name:
N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-2-hydroxybenzamide
InChI:
InChI=1S/C13H9NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,11-12,15H,(H,14,18)
InChI Key:
DJSICXICJKSEMB-UHFFFAOYSA-N
SMILES:
O=C1C=C(NC(=O)c2ccccc2O)C(=O)C2C1O2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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