Cas no 113779-19-4 (methyl benzo[e]pyren-4-ylacetate)
![methyl benzo[e]pyren-4-ylacetate structure](https://ossimg.kuujia.com/scimg/114000/113779-19-4x500.png)
113779-19-4 structure
Product Name:methyl benzo[e]pyren-4-ylacetate
CAS No:113779-19-4
MF:C23H16O2
MW:324.371946334839
CID:1201243
PubChem ID:188807
Update Time:2025-04-20
methyl benzo[e]pyren-4-ylacetate Chemical and Physical Properties
Names and Identifiers
-
- methyl benzo[e]pyren-4-ylacetate
- methyl 2-benzo[e]pyren-4-ylacetate
- DTXSID90150548
- 113779-19-4
- Benzo(e)pyrene-4-acetic acid, methyl ester
-
- Inchi： 1S/C23H16O2/c1-25-21(24)13-15-12-14-6-4-10-19-17-7-2-3-8-18(17)20-11-5-9-16(15)23(20)22(14)19/h2-12H,13H2,1H3
- InChI Key： RDSORQICYMAIPR-UHFFFAOYSA-N
- SMILES： O(C)C(CC1C=C2C=CC=C3C4C=CC=CC=4C4=CC=CC=1C4=C32)=O
Computed Properties
- Exact Mass: 324.11508
- Monoisotopic Mass: 324.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 514
- 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: 6.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.303
- Boiling Point: 530.7°C at 760 mmHg
- Flash Point: 212.7°C
- Refractive Index: 1.798
- PSA: 26.3
methyl benzo[e]pyren-4-ylacetate Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
113779-19-4 (methyl benzo[e]pyren-4-ylacetate) Related Products
- 2876-78-0(methyl 2-(naphthalen-1-yl)acetate)
- 5415-58-7(1-Naphthaleneacetic anhydride)
- 2876-71-3(Methyl 2-Naphthylacetate)
- 2876-70-2(Ethyl 2-Naphthylacetate)
- 23786-13-2(Methyl 4-Methylphenylacetate)
- 101-41-7(Methyl phenylacetate)
- 2122-70-5(1-Naphthaleneacetic Acid Ethyl Ester)
- 53088-69-0(Methyl 2-(m-tolyl)acetate)
- 63018-40-6(Benzaanthracene-7-acetic Acid Methyl Ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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