Cas no 30636-86-3 (1,3-Cyclopentanedicarboxylicacid, 1,2-dimethyl- (9CI))
30636-86-3 structure
Product Name:1,3-Cyclopentanedicarboxylicacid, 1,2-dimethyl- (9CI)
CAS No:30636-86-3
MF:C9H14O4
MW:186.205063343048
CID:307827
PubChem ID:12304424
Update Time:2025-04-19
1,3-Cyclopentanedicarboxylicacid, 1,2-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Cyclopentanedicarboxylicacid, 1,2-dimethyl- (9CI)
- Allosantenicacid
- 1,2-dimethylcyclopentane-1,3-dicarboxylic acid
- 30636-86-3
- DTXSID10486710
- 1,3-Cyclopentanedicarboxylicacid, 1,2-dimethyl-(9CI)
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- Inchi： 1S/C9H14O4/c1-5-6(7(10)11)3-4-9(5,2)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
- InChI Key： TYONAVFDKTWOJC-UHFFFAOYSA-N
- SMILES： OC(C1(C)CCC(C(=O)O)C1C)=O
Computed Properties
- Exact Mass: 186.08922
- Monoisotopic Mass: 186.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
1,3-Cyclopentanedicarboxylicacid, 1,2-dimethyl- (9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
30636-86-3 (1,3-Cyclopentanedicarboxylicacid, 1,2-dimethyl- (9CI)) Related Products
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- 943-29-3(4-tert-Butycyclohexanecarboxylic Acid)
- 828-51-3(Adamantane-1-carboxylic acid)
- 99-66-1(Valproic acid)
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