Cas no 91017-22-0 (Heptanoic acid, 2-(acetylamino)-, methyl ester)
91017-22-0 structure
Product Name:Heptanoic acid, 2-(acetylamino)-, methyl ester
CAS No:91017-22-0
MF:C10H19NO3
MW:201.262763261795
CID:788186
PubChem ID:14016731
Update Time:2025-04-19
Heptanoic acid, 2-(acetylamino)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 2-(acetylamino)-, methyl ester
- methyl 2-acetamidoheptanoate
- methyl 2-(acetylamino)heptanoate
- 2-acetamido-heptanoic acid methyl ester
- DTXSID80554354
- HEPTANOICACID2ACETYLAMINOMETHYLESTER
- SCHEMBL19085541
- DTXSID90876155
- 91017-22-0
-
- Inchi: 1S/C10H19NO3/c1-4-5-6-7-9(10(13)14-3)11-8(2)12/h9H,4-7H2,1-3H3,(H,11,12)
- InChI Key: FWWZBHSEVOSEHV-UHFFFAOYSA-N
- SMILES: O(C)C(C(CCCCC)NC(C)=O)=O
Computed Properties
- Exact Mass: 201.13649347g/mol
- Monoisotopic Mass: 201.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 192
- 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: 1.3
- Topological Polar Surface Area: 55.4?2
Heptanoic acid, 2-(acetylamino)-, methyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
91017-22-0 (Heptanoic acid, 2-(acetylamino)-, methyl ester) Related Products
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