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173357-69-2 | 2H,6H-1,4,7-Trioxa-2-azacyclopent[cd]indene (9CI)
CAS No: 173357-69-2 Catalog No: AG001YTN MDL No:
Product Description
Catalog Number:
AG001YTN
Chemical Name:
2H,6H-1,4,7-Trioxa-2-azacyclopent[cd]indene (9CI)
CAS Number:
173357-69-2
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
IUPAC Name:
2,6,10-trioxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),4,7-triene
InChI:
InChI=1S/C7H5NO3/c1-2-9-7-6-4(8-11-7)3-10-5(1)6/h1,3,8H,2H2
InChI Key:
UMZCQXKGRDIXJS-UHFFFAOYSA-N
SMILES:
C1Oc2o[nH]c3c2c(=C1)oc3
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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