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251462-34-7 | Cyanic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl ester
CAS No: 251462-34-7 Catalog No: AG002QM5 MDL No:
Product Description
Catalog Number:
AG002QM5
Chemical Name:
Cyanic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl ester
CAS Number:
251462-34-7
Molecular Formula:
C11H6N2O3
Molecular Weight:
214.1769
IUPAC Name:
[4-(2,5-dioxopyrrol-1-yl)phenyl] cyanate
InChI:
InChI=1S/C11H6N2O3/c12-7-16-9-3-1-8(2-4-9)13-10(14)5-6-11(13)15/h1-6H
InChI Key:
KISXEYFYGOSMSK-UHFFFAOYSA-N
SMILES:
N#COc1ccc(cc1)N1C(=O)C=CC1=O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.18g/mol
Monoisotopic Mass:
214.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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