Cas no 102714-66-9 (Butanedioic acid,methylmethylene-, (S)- (9CI))
102714-66-9 structure
Product Name:Butanedioic acid,methylmethylene-, (S)- (9CI)
CAS No:102714-66-9
MF:C6H8O4
MW:144.125322341919
CID:178785
PubChem ID:6438940
Update Time:2025-04-19
Butanedioic acid,methylmethylene-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,methylmethylene-, (S)- (9CI)
- (2E)-2-ethylidenebutanedioic acid
- 2-ethylidenebutanedioic acid
- 3-methylitaconate
- Butanedioic acid,ethylidene
- S-3-methylitaconic acid
- AKOS006374421
- 144368-21-8
- CHEMBL4761396
- (E)-Ethylidenesuccinic acid
- SCHEMBL6365923
- DTXSID201347631
- 102714-66-9
-
- Inchi： 1S/C6H8O4/c1-2-4(6(9)10)3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
- InChI Key： NRSMWHGLCNBZSO-DUXPYHPUSA-N
- SMILES： OC(C/C(/C(=O)O)=C\C)=O
Computed Properties
- Exact Mass: 144.04200
- Monoisotopic Mass: 144.042259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 0.1
Experimental Properties
- Density: 1.307
- Boiling Point: 379.3°Cat760mmHg
- Flash Point: 197.3°C
- PSA: 74.60000
- LogP: 0.49200
Butanedioic acid,methylmethylene-, (S)- (9CI) Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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