Cas no 35147-76-3 (Pyrene-1,3,6,8-tetrone)
Pyrene-1,3,6,8-tetrone structure
Product Name:Pyrene-1,3,6,8-tetrone
CAS No:35147-76-3
MF:C16H8O4
MW:264.23232460022
CID:1468189
PubChem ID:789242
Update Time:2025-04-20
Pyrene-1,3,6,8-tetrone Chemical and Physical Properties
Names and Identifiers
-
- Pyrene-1,3,6,8-tetrone
- Pyrene-1,3,6,8-tetraone
- 1,3,6,8-pyrenetetrone
- ZINC00288842
- AC1LG5IG
- AKOS000592860
- BAS 00336016
- NSC727410
- Pyren-1,3,6,8-tetraon
- SureCN278440
- HMS1579D07
- 1,2,3,6,7,8-hexahydro-1,3,6,8-pyrenetetrone
- 1,2,3,6,7,8-hexahydropyrene-1,3,6,8-tetraone
- Pyrene-1,3,6,8-tetraone; pyrene-1,3,6,8-tetraone; 1,3,6,8-pyrenetetrone; ZINC00288842; AC1LG5IG; AKOS000592860; BAS 00336016; NSC727410; Pyren-1,3,6,8-tetraon; SureCN278440; HMS1579D07; 1,2,3,6,7,8-hexahydro-1,3,6,8-pyrenetetrone; 1,2,3,6,7,8-hexahydropyrene-1,3,6,8-tetraone;
- AB00075932-01
- 1,3,6,8(2H,7H)-Pyrenetetrone
- Pyrene-1,3,6,8(2H,7H)-tetraone
- SR-01000514753
- NSC-727410
- SCHEMBL278440
- Pyrene-1,3,6,8(2H,7H)-tetrone
- CHEMBL5288320
- DTXSID30355015
- 1,3,6,8(2H,7H)-Pyrentetron
- 35147-76-3
- SR-01000514753-1
-
- Inchi: 1S/C16H8O4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-4H,5-6H2
- InChI Key: XRVXSWZJTJOYCE-UHFFFAOYSA-N
- SMILES: O=C1CC(C2C=CC3C(CC(C4=CC=C1C=2C4=3)=O)=O)=O
Computed Properties
- Exact Mass: 264.04224
- Monoisotopic Mass: 264.042259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 443
- 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: 68.3
- XLogP3: 2.1
Experimental Properties
- PSA: 68.28
- LogP: 2.37800
Pyrene-1,3,6,8-tetrone Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
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
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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