Cas no 67490-10-2 (2-Oxepincarboxylic acid, methyl ester (9CI);)
67490-10-2 structure
Product Name:2-Oxepincarboxylic acid, methyl ester (9CI);
CAS No:67490-10-2
MF:C8H8O3
MW:152.147322654724
CID:966123
PubChem ID:45090123
Update Time:2025-04-19
2-Oxepincarboxylic acid, methyl ester (9CI); Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxepincarboxylicacid,methylester(9CI)
- methyl oxepine-2-carboxylate
- DTXSID30666577
- CHEBI:210763
- 67490-10-2
- 2-carbomethoxyoxepin
- 2-Oxepincarboxylic acid, methyl ester (9CI);
-
- Inchi： 1S/C8H8O3/c1-10-8(9)7-5-3-2-4-6-11-7/h2-6H,1H3
- InChI Key： LGWGHIVCHVTBRS-UHFFFAOYSA-N
- SMILES： O1C=CC=CC=C1C(=O)OC
Computed Properties
- Exact Mass: 152.047
- Monoisotopic Mass: 152.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 236
- 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
- Topological Polar Surface Area: 35.5A^2
- XLogP3: 1.8
2-Oxepincarboxylic acid, methyl ester (9CI); Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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