Cas no 63455-19-6 (6-Hydroxybenzo[a]pyrene)
![6-Hydroxybenzo[a]pyrene structure](https://ossimg.kuujia.com/scimg/63500/63455-19-6x500.png)
6-Hydroxybenzo[a]pyrene structure
Product Name:6-Hydroxybenzo[a]pyrene
CAS No:63455-19-6
MF:C20H12O
MW:268.308685302734
CID:2716660
PubChem ID:36636
Update Time:2025-04-21
6-Hydroxybenzo[a]pyrene Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL3798629
- Benzo(a)pyrenol
- BRN 1982121
- BENZO(PQR)TETRAPHEN-6-OL
- DTXSID20943203
- 63455-19-6
- NSC 30998
- 33953-73-0
- DTXSID30955534
- NSC30998
- 5-Hydroxy-3,4-benzopyrene
- benzo[pqr]tetraphen-6-ol
- (Benzo[pqr]tetraphen-6-yl)oxidanyl
- AKOS015906069
- Q27116091
- 6-Hydroxybenzo(a)pyrene
- CHEBI:34470
- Benzo[a]pyren-6-ol
- NSC-30998
- I68U5515CI
- HYDROXYBENZO(A)PYRENE, 6-
- BENZO(a)PYREN-6-OL
- 6-Hydroxy benzo[a]pyrene
- CHEMBL1908052
- benzo[b]pyren-6-ol
- 6-Hydroxybenzo[a]pyrene
- Benzo(a)pyrene, 6-hydroxy-
- UNII-I68U5515CI
- BIDD:ER0458
- CCRIS 1072
-
- Inchi： 1S/C20H12O/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11,21H
- InChI Key： MGTMTTGZMPDIQS-UHFFFAOYSA-N
- SMILES： OC1C2C=CC=CC=2C2=CC=C3C=CC=C4C=CC=1C2=C34
Computed Properties
- Exact Mass: 268.088815002Da
- Monoisotopic Mass: 268.088815002Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 405
- 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: 5.9
- Topological Polar Surface Area: 20.2?2
6-Hydroxybenzo[a]pyrene Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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