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87198-87-6 | 9-ACRIDINECARBOXYLIC ACID 4-[3-[(2,5-DIOXO-1-PYRROLIDINYL)OXY]-3-OXOPROPYL]PHENYL ESTER
CAS No: 87198-87-6 Catalog No: AG004SKO MDL No:
Product Description
Catalog Number:
AG004SKO
Chemical Name:
9-ACRIDINECARBOXYLIC ACID 4-[3-[(2,5-DIOXO-1-PYRROLIDINYL)OXY]-3-OXOPROPYL]PHENYL ESTER
CAS Number:
87198-87-6
Molecular Formula:
C27H20N2O6
Molecular Weight:
468.4575
IUPAC Name:
[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] acridine-9-carboxylate
InChI:
InChI=1S/C27H20N2O6/c30-23-14-15-24(31)29(23)35-25(32)16-11-17-9-12-18(13-10-17)34-27(33)26-19-5-1-3-7-21(19)28-22-8-4-2-6-20(22)26/h1-10,12-13H,11,14-16H2
InChI Key:
GBOJMSAFBYZBOM-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCc1ccc(cc1)OC(=O)c1c2ccccc2nc2c1cccc2
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.132g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.465g/mol
Monoisotopic Mass:
468.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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