Cas no 3290-56-0 (Pentanedioic acid, 2-methyl-4-methylene-)
3290-56-0 structure
Product Name:Pentanedioic acid, 2-methyl-4-methylene-
CAS No:3290-56-0
MF:C7H10O4
MW:158.151902675629
CID:1454103
PubChem ID:19784052
Update Time:2025-04-20
Pentanedioic acid, 2-methyl-4-methylene- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2-methyl-4-methylene-
- SCHEMBL3045176
- DTXSID601288081
- 2-methyl-4-methylenepentanedioic acid
- 3290-56-0
- CTAVNGXKBDENRF-UHFFFAOYSA-N
- 2-methylene-4-methylglutaric acid
-
- Inchi： 1S/C7H10O4/c1-4(6(8)9)3-5(2)7(10)11/h5H,1,3H2,2H3,(H,8,9)(H,10,11)
- InChI Key： CTAVNGXKBDENRF-UHFFFAOYSA-N
- SMILES： OC(C(C)CC(=C)C(=O)O)=O
Computed Properties
- Exact Mass: 158.0579
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 195
- 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: 0.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Pentanedioic acid, 2-methyl-4-methylene- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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