Cas no 59275-39-7 (1-Pyrenebutanoic acid,ethyl ester)
59275-39-7 structure
Product Name:1-Pyrenebutanoic acid,ethyl ester
CAS No:59275-39-7
MF:C22H20O2
MW:316.393006324768
CID:374655
PubChem ID:231155
Update Time:2025-04-19
1-Pyrenebutanoic acid,ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyrenebutanoic acid,ethyl ester
- ethyl 4-pyren-1-ylbutanoate
- 4-(1-pyrene)butanoic acid ethyl ester
- 4-pyren-1-yl butyric acid ethyl ester
- 4-Pyren-1-yl-buttersaeure-aethylester
- 4-pyren-1-yl-butyric acid ethyl ester
- 9-pyrenebutyric acid ethyl ester
- AC1L5L2Y
- AC1Q656W
- AR-1I9001
- CTK5A9689
- ethyl 4-(1-pyrenyl)butanoate
- ethyl 4-(pyren-1-yl)butanoate
- NSC26815
- 59275-39-7
- DTXSID20282609
- SCHEMBL2181341
- NSC-26815
-
- Inchi： 1S/C22H20O2/c1-2-24-20(23)8-4-5-15-9-10-18-12-11-16-6-3-7-17-13-14-19(15)22(18)21(16)17/h3,6-7,9-14H,2,4-5,8H2,1H3
- InChI Key： XNZNRXZOOFWLIH-UHFFFAOYSA-N
- SMILES： O(CC)C(CCCC1C=CC2=CC=C3C=CC=C4C=CC=1C2=C43)=O
Computed Properties
- Exact Mass: 316.1464
- Monoisotopic Mass: 316.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 445
- 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: 5.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.197
- Boiling Point: 491.2°C at 760 mmHg
- Flash Point: 186.5°C
- Refractive Index: 1.701
- PSA: 26.3
- LogP: 5.46980
1-Pyrenebutanoic acid,ethyl ester Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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