Cas no 36596-61-9 (Cyclopentanecarboxylic acid, 3-bromo-2-oxo-, methyl ester)
36596-61-9 structure
Product Name:Cyclopentanecarboxylic acid, 3-bromo-2-oxo-, methyl ester
CAS No:36596-61-9
MF:C7H9BrO3
MW:221.048561811447
CID:1476256
PubChem ID:21074260
Update Time:2025-04-21
Cyclopentanecarboxylic acid, 3-bromo-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylic acid, 3-bromo-2-oxo-, methyl ester
- methyl 3-bromo-2-oxocyclopentane-1-carboxylate
- SCHEMBL5514614
- methyl 3-bromo-2-oxocyclopentanecarboxylate
- 36596-61-9
- DTXSID20610549
-
- Inchi： 1S/C7H9BrO3/c1-11-7(10)4-2-3-5(8)6(4)9/h4-5H,2-3H2,1H3
- InChI Key： YUZCAMLFEUHOFM-UHFFFAOYSA-N
- SMILES： BrC1C(C(C(=O)OC)CC1)=O
Computed Properties
- Exact Mass: 219.97347
- Monoisotopic Mass: 219.97351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Cyclopentanecarboxylic acid, 3-bromo-2-oxo-, methyl ester Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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