Cas no 69277-27-6 (Benzoic acid, 4-(furanyl)-, ethyl ester)
69277-27-6 structure
Product Name:Benzoic acid, 4-(furanyl)-, ethyl ester
CAS No:69277-27-6
MF:C13H12O3
MW:216.232583999634
CID:391976
PubChem ID:12464309
Update Time:2025-04-19
Benzoic acid, 4-(furanyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(furanyl)-, ethyl ester
- ethyl 4-(furan-2-yl)benzoate
- DTXSID20499295
- 35461-96-2
- 69277-27-6
- Benzoic acid,4-(2-furanyl)-,ethyl ester
- AKOS024437548
- Benzoic acid, 4-(2-furanyl)-, ethyl ester
-
- Inchi: 1S/C13H12O3/c1-2-15-13(14)11-7-5-10(6-8-11)12-4-3-9-16-12/h3-9H,2H2,1H3
- InChI Key: IOKSGGUJHUNARM-UHFFFAOYSA-N
- SMILES: O1C=CC=C1C1C=CC(C(=O)OCC)=CC=1
Computed Properties
- Exact Mass: 216.078644241g/mol
- Monoisotopic Mass: 216.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 231
- 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: 2.9
- Topological Polar Surface Area: 39.4?2
Benzoic acid, 4-(furanyl)-, ethyl ester Related Literature
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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