Cas no 56183-00-7 (5-methoxybenzo[pqr]tetraphene)
![5-methoxybenzo[pqr]tetraphene structure](https://ossimg.kuujia.com/scimg/56500/56183-00-7x500.png)
5-methoxybenzo[pqr]tetraphene structure
Product Name:5-methoxybenzo[pqr]tetraphene
CAS No:56183-00-7
MF:C21H14O
MW:282.335265636444
CID:1601905
PubChem ID:92050
Update Time:2025-04-21
5-methoxybenzo[pqr]tetraphene Chemical and Physical Properties
Names and Identifiers
-
- 5-methoxybenzo[pqr]tetraphene
- O-(1-aminoethenyl)hydroxylamine,hydrochloride
- 5-Methoxybenzo(a)pyrene
- 56183-00-7
- DTXSID30971572
- Benzo(a)pyrene, 5-methoxy-
-
- Inchi： 1S/C21H14O/c1-22-19-12-15-7-4-6-13-9-10-17-16-8-3-2-5-14(16)11-18(19)21(17)20(13)15/h2-12H,1H3
- InChI Key： OXJRZQSGIXGFRZ-UHFFFAOYSA-N
- SMILES： O(C)C1=CC2=CC=CC3=CC=C4C5C=CC=CC=5C=C1C4=C23
Computed Properties
- Exact Mass: 282.10452
- Monoisotopic Mass: 282.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 418
- 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: 6.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
5-methoxybenzo[pqr]tetraphene Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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