Cas no 89876-49-3 (Propanoic acid, 2,3-dichloro-, heptyl ester)
89876-49-3 structure
Product Name:Propanoic acid, 2,3-dichloro-, heptyl ester
CAS No:89876-49-3
MF:C10H18Cl2O2
MW:241.154721736908
CID:586255
PubChem ID:71326682
Update Time:2025-04-19
Propanoic acid, 2,3-dichloro-, heptyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,3-dichloro-, heptyl ester
- heptyl 2,3-dichloropropanoate
- 89876-49-3
- DTXSID40755825
-
- Inchi： 1S/C10H18Cl2O2/c1-2-3-4-5-6-7-14-10(13)9(12)8-11/h9H,2-8H2,1H3
- InChI Key： VKWIXBARSOTFSG-UHFFFAOYSA-N
- SMILES： ClC(CCl)C(=O)OCCCCCCC
Computed Properties
- Exact Mass: 240.0683852g/mol
- Monoisotopic Mass: 240.0683852g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 151
- 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: 4.2
- Topological Polar Surface Area: 26.3?2
Propanoic acid, 2,3-dichloro-, heptyl ester Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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