Cas no 56525-14-5 (Butanedioic acid,2-methylene-, 1,4-bis(2-methylpropyl) ester)
56525-14-5 structure
Product Name:Butanedioic acid,2-methylene-, 1,4-bis(2-methylpropyl) ester
CAS No:56525-14-5
MF:C13H22O4
MW:242.311384677887
CID:380735
PubChem ID:241087
Update Time:2025-04-19
Butanedioic acid,2-methylene-, 1,4-bis(2-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-methylene-, 1,4-bis(2-methylpropyl) ester
- bis(2-methylpropyl) 2-methylidenebutanedioate
- AC1L66LG
- AC1Q62SH
- AG-F-98581
- AR-1I0192
- CTK5A5285
- diisobutyl itaconate
- NSC48189
- SCHEMBL1060689
- Butanedioic acid, methylene-, bis(2-methylpropyl) ester
- NSC 48189
- 56525-14-5
- NSC-48189
- UNII-J46J5KB8ZJ
- DTXSID10286893
- J46J5KB8ZJ
- BUTANEDIOIC ACID, 2-METHYLENE-, 1,4-BIS(2-METHYLPROPYL) ESTER
- 2-METHYLENE-BUTANEDIOIC ACID, 1,4-BIS(2-METHYLPROPYL) ESTER
-
- Inchi： 1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h9-10H,5-8H2,1-4H3
- InChI Key： JYMCPGMXHKUZGC-UHFFFAOYSA-N
- SMILES： O(C(CC(=C)C(=O)OCC(C)C)=O)CC(C)C
Computed Properties
- Exact Mass: 242.15186
- Monoisotopic Mass: 242.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 279
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid,2-methylene-, 1,4-bis(2-methylpropyl) ester Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
56525-14-5 (Butanedioic acid,2-methylene-, 1,4-bis(2-methylpropyl) ester) Related Products
- 547-65-9(α-Methylene-γ-butyrolactone)
- 2170-03-8(Itaconic Anhydride)
- 57718-07-7(Monoethyl itaconate)
- 617-52-7(1,4-dimethyl 2-methylidenebutanedioate)
- 2409-52-1(2-\u200bMethylene-butanedioic acid 1,\u200b4-\u200bdiethyl ester)
- 2155-60-4(Dibutyl itaconate)
- 2287-83-4(bis(2-Ethylhexyl)itaconate(stabilizedwithHQ))
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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