Cas no 90267-86-0 (1H-Pyrrole-1-nonanoic acid, 2,5-dihydro-2,5-dioxo-)
90267-86-0 structure
Product Name:1H-Pyrrole-1-nonanoic acid, 2,5-dihydro-2,5-dioxo-
CAS No:90267-86-0
MF:C13H19NO4
MW:253.29426407814
CID:790490
PubChem ID:10729548
Update Time:2025-04-19
1H-Pyrrole-1-nonanoic acid, 2,5-dihydro-2,5-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-nonanoic acid, 2,5-dihydro-2,5-dioxo-
- 9-(2,5-dioxopyrrol-1-yl)nonanoic acid
- 90267-86-0
- BDBM50471009
- CHEMBL49832
- SCHEMBL6934781
- DTXSID10444097
-
- Inchi： 1S/C13H19NO4/c15-11-8-9-12(16)14(11)10-6-4-2-1-3-5-7-13(17)18/h8-9H,1-7,10H2,(H,17,18)
- InChI Key： VTPOJNNYHQUUCT-UHFFFAOYSA-N
- SMILES： O=C1C=CC(N1CCCCCCCCC(=O)O)=O
Computed Properties
- Exact Mass: 253.13140809g/mol
- Monoisotopic Mass: 253.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 331
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 74.7?2
1H-Pyrrole-1-nonanoic acid, 2,5-dihydro-2,5-dioxo- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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