Cas no 87532-09-0 (Heptanoic acid, 2-(benzoyloxy)-, methyl ester)
87532-09-0 structure
Product Name:Heptanoic acid, 2-(benzoyloxy)-, methyl ester
CAS No:87532-09-0
MF:C15H20O4
MW:264.316905021667
CID:655330
PubChem ID:13122642
Update Time:2025-04-19
Heptanoic acid, 2-(benzoyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 2-(benzoyloxy)-, methyl ester
- (1-methoxy-1-oxoheptan-2-yl) benzoate
- DTXSID30519599
- 87532-09-0
- 1-Methoxy-1-oxoheptan-2-yl benzoate
-
- Inchi： 1S/C15H20O4/c1-3-4-6-11-13(15(17)18-2)19-14(16)12-9-7-5-8-10-12/h5,7-10,13H,3-4,6,11H2,1-2H3
- InChI Key： LWCAWKZZWAHTME-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C(C(=O)OC)CCCCC
Computed Properties
- Exact Mass: 264.13615911g/mol
- Monoisotopic Mass: 264.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 282
- 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: 4.1
- Topological Polar Surface Area: 52.6?2
Heptanoic acid, 2-(benzoyloxy)-, methyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
87532-09-0 (Heptanoic acid, 2-(benzoyloxy)-, methyl ester) Related Products
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