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144597-24-0 | Propanoic acid, 3-[[(2,4,7-trinitro-9H-fluoren-9-ylidene)amino]oxy]-
CAS No: 144597-24-0 Catalog No: AG001JSM MDL No:
Product Description
Catalog Number:
AG001JSM
Chemical Name:
Propanoic acid, 3-[[(2,4,7-trinitro-9H-fluoren-9-ylidene)amino]oxy]-
CAS Number:
144597-24-0
Molecular Formula:
C16H10N4O9
Molecular Weight:
402.2720
IUPAC Name:
3-[(2,4,7-trinitrofluoren-9-ylidene)amino]oxypropanoic acid
InChI:
InChI=1S/C16H10N4O9/c21-14(22)3-4-29-17-16-11-5-8(18(23)24)1-2-10(11)15-12(16)6-9(19(25)26)7-13(15)20(27)28/h1-2,5-7H,3-4H2,(H,21,22)
InChI Key:
DKGDQEWGYCFILJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCON=C1c2cc(ccc2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.045g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.275g/mol
Monoisotopic Mass:
402.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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