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211172-51-9 | Benzonitrile, 4-[(2-ethoxy-3,4-dioxo-1-cyclobuten-1-yl)amino]-3-hydroxy-
CAS No: 211172-51-9 Catalog No: AG002L6Z MDL No:
Product Description
Catalog Number:
AG002L6Z
Chemical Name:
Benzonitrile, 4-[(2-ethoxy-3,4-dioxo-1-cyclobuten-1-yl)amino]-3-hydroxy-
CAS Number:
211172-51-9
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
IUPAC Name:
4-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-3-hydroxybenzonitrile
InChI:
InChI=1S/C13H10N2O4/c1-2-19-13-10(11(17)12(13)18)15-8-4-3-7(6-14)5-9(8)16/h3-5,15-16H,2H2,1H3
InChI Key:
QEZWHBLTQHIPHX-UHFFFAOYSA-N
SMILES:
CCOC1=C(C(=O)C1=O)Nc1ccc(cc1O)C#N
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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