Cas no 129786-60-3 (1-Pyreneacetaldehyde, a-oxo-)
1-Pyreneacetaldehyde, a-oxo- structure
Product Name:1-Pyreneacetaldehyde, a-oxo-
CAS No:129786-60-3
MF:C18H10O2
MW:258.27080488205
CID:149810
PubChem ID:3035577
Update Time:2025-04-19
1-Pyreneacetaldehyde, a-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyreneacetaldehyde, a-oxo-
- oxaldehyde,pyrene
- pyrene glyoxal
- 1-Pyreneacetaldehyde, alpha-oxo-
- alpha-Oxo-1-pyreneacetaldehyde
- oxo(pyren-1-yl)acetaldehyde
- Pyrenylglyoxal
- 129786-60-3
- Pyreneglyoxal
- 2-oxo-2-pyren-1-ylacetaldehyde
- SCHEMBL12070574
- 1-pyrenylglyoxal
- DTXSID80926496
-
- Inchi： 1S/C18H10O2/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-10H
- InChI Key： SSORFNIYNFPXRG-UHFFFAOYSA-N
- SMILES： O=C(C=O)C1C=CC2=CC=C3C=CC=C4C=CC=1C2=C43
Computed Properties
- Exact Mass: 258.0681
- Monoisotopic Mass: 258.06808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 416
- 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
- Topological Polar Surface Area: 34.1
- XLogP3: 4.4
Experimental Properties
- Density: 1.353
- Boiling Point: 452.7°C at 760 mmHg
- Flash Point: 194.8°C
- Refractive Index: 1.814
- PSA: 34.14
1-Pyreneacetaldehyde, a-oxo- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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