Cas no 28622-84-6 (Benzo[a]pyrene-4,5-diol,4,5-dihydro-)
![Benzo[a]pyrene-4,5-diol,4,5-dihydro- structure](https://ossimg.kuujia.com/scimg/29000/28622-84-6x500.png)
28622-84-6 structure
Product Name:Benzo[a]pyrene-4,5-diol,4,5-dihydro-
CAS No:28622-84-6
MF:C20H14O2
MW:286.323965549469
CID:255904
PubChem ID:34292
Update Time:2025-04-19
Benzo[a]pyrene-4,5-diol,4,5-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene-4,5-diol,4,5-dihydro-
- 4,5-dihydrobenzo[a]pyrene-4,5-trans-(e,e)-diol
- 4,5-Dihydrobenzo[pqr]tetraphene-4,5-diol
- Benzo(a)pyrene, 4,5-dihydro-4,5-dihydroxy-, (E)-
- 4,5-Dihydro-4,5-dihydroxybenzo(a)pyrene
- 28622-84-6
- 37571-88-3
- 4,5-Dihydro-4,5-dihydroxybenzpyrene
- 4,5-Dihydrobenzo[def]chrysene-4,5-diol #
- 4,5-Dihydroxy-4,5-dihydrobenzo(a)pyrene
- Benzo(a)pyrene, 4,5-dihydroxy-4,5-dihydro-
- BENZO(a)PYRENE, 4,5-DIHYDRO-4,5-DIHYDROXY-
- SCHEMBL3344522
- OYOQHRXJXXTZII-UHFFFAOYSA-N
- benzo(a)pyrene-4,5-dihydrodiol
- 4,5-dihydrobenzo[a]pyrene-4,5-diol
- DTXSID40951289
- BP-4,5-Dihydrodiol
-
- Inchi： 1S/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H
- InChI Key： OYOQHRXJXXTZII-UHFFFAOYSA-N
- SMILES： OC1C(C2C=CC=C3C=CC4=C5C=CC=CC5=CC1=C4C=23)O
Computed Properties
- Exact Mass: 286.09942
- Monoisotopic Mass: 286.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 435
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 3.7
Experimental Properties
- Density: 1.1197 (rough estimate)
- Boiling Point: 388.69°C (rough estimate)
- Flash Point: 275.5°C
- Refractive Index: 1.7580 (estimate)
- PSA: 40.46
Benzo[a]pyrene-4,5-diol,4,5-dihydro- Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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