Cas no 150521-41-8 (Cyclobutanecarboxylicacid, 2,3-bis(hydroxymethyl)-)
150521-41-8 structure
Product Name:Cyclobutanecarboxylicacid, 2,3-bis(hydroxymethyl)-
CAS No:150521-41-8
MF:C7H12O4
MW:160.167782783508
CID:99859
PubChem ID:45084961
Update Time:2025-04-18
Cyclobutanecarboxylicacid, 2,3-bis(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclobutanecarboxylicacid, 2,3-bis(hydroxymethyl)-
- 2,3-bis(hydroxymethyl)cyclobutane-1-carboxylic acid
- Cyclobutanecarboxylic acid, 2,3-bis(hydroxymethyl)- (9CI)
- DTXSID40665773
- 150521-41-8
-
- Inchi： 1S/C7H12O4/c8-2-4-1-5(7(10)11)6(4)3-9/h4-6,8-9H,1-3H2,(H,10,11)
- InChI Key： VYTKNDPZWGZXOX-UHFFFAOYSA-N
- SMILES： OCC1C(C(=O)O)CC1CO
Computed Properties
- Exact Mass: 160.07356
- Monoisotopic Mass: 160.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 157
- 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
- Topological Polar Surface Area: 77.8A^2
- XLogP3: -1
Experimental Properties
- PSA: 77.76
Cyclobutanecarboxylicacid, 2,3-bis(hydroxymethyl)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
150521-41-8 (Cyclobutanecarboxylicacid, 2,3-bis(hydroxymethyl)-) Related Products
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 1703-58-8(1,2,3,4-Butanetetracarboxylic acid)
- 1188-02-9(2-Methylheptanoic acid)
- 1460-16-8(Cycloheptanecarboxylic acid)
- 498-21-5(Methylsuccinic acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 99-66-1(Valproic acid)
- 1076-97-7(1,4-Cyclohexanedicarboxylic Acid)
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