Cas no 62243-29-2 (Butanedioic acid, 2,3-dichloro-, dibutyl ester)
62243-29-2 structure
Product Name:Butanedioic acid, 2,3-dichloro-, dibutyl ester
CAS No:62243-29-2
MF:C12H20Cl2O4
MW:299.190802574158
CID:452796
PubChem ID:71388402
Update Time:2025-04-19
Butanedioic acid, 2,3-dichloro-, dibutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, 2,3-dichloro-, dibutyl ester
- dibutyl 2,3-dichlorobutanedioate
- DTXSID00810469
- SCHEMBL2861335
- 62243-29-2
-
- Inchi： 1S/C12H20Cl2O4/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10H,3-8H2,1-2H3
- InChI Key： OJMZDKDDIWFLSB-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCCCC)C(C(=O)OCCCC)Cl
Computed Properties
- Exact Mass: 298.074
- Monoisotopic Mass: 298.0738645g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, 2,3-dichloro-, dibutyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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