Cas no 24902-02-1 (1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, propyl ester)
24902-02-1 structure
Product Name:1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, propyl ester
CAS No:24902-02-1
MF:C12H14O4
MW:222.237164020538
CID:272239
PubChem ID:32734
Update Time:2025-04-19
1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, propyl ester
- propyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
- 1,4-BENZODIOXAN-2-CARBOXYLIC ACID, PROPYL ESTER
- AC1L1OB9
- AG-E-74838
- AI3-33951
- Amlure
- CTK4F4593
- Propyl 1,4-benzodioxan-2-carboxylate
- SureCN8102249
- SCHEMBL8102249
- AKOS008948092
- DTXSID10947795
- PROPYL 2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLATE
- 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, propyl ester
- 24902-02-1
-
- Inchi： 1S/C12H14O4/c1-2-7-14-12(13)11-8-15-9-5-3-4-6-10(9)16-11/h3-6,11H,2,7-8H2,1H3
- InChI Key： GIWVWMBTCWHKMO-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2OCC1C(=O)OCCC
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.089209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 241
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 44.8
Experimental Properties
- Density: 1.176
- Boiling Point: 303.2°C at 760 mmHg
- Flash Point: 130.9°C
- Refractive Index: 1.517
- PSA: 44.76
1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, propyl ester Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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