Cas no 885068-71-3 (2H-Pyran-4-carboxylic acid, 4-(3-boronophenyl)tetrahydro-)
885068-71-3 structure
Product Name:2H-Pyran-4-carboxylic acid, 4-(3-boronophenyl)tetrahydro-
CAS No:885068-71-3
MF:C12H15BO5
MW:250.055504083633
CID:1925307
PubChem ID:86240130
Update Time:2025-04-21
2H-Pyran-4-carboxylic acid, 4-(3-boronophenyl)tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-4-carboxylic acid, 4-(3-boronophenyl)tetrahydro-
- DB-166243
- 885068-71-3
- 4-(3-Boronophenyl)tetrahydro-2H-pyran-4-carboxylic acid
-
- Inchi： 1S/C12H15BO5/c14-11(15)12(4-6-18-7-5-12)9-2-1-3-10(8-9)13(16)17/h1-3,8,16-17H,4-7H2,(H,14,15)
- InChI Key： VMTUFDOREOCWSP-UHFFFAOYSA-N
- SMILES： O1CCC(C(=O)O)(C2C=CC=C(B(O)O)C=2)CC1
Computed Properties
- Exact Mass: 250.1012537Da
- Monoisotopic Mass: 250.1012537Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87?2
2H-Pyran-4-carboxylic acid, 4-(3-boronophenyl)tetrahydro- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
885068-71-3 (2H-Pyran-4-carboxylic acid, 4-(3-boronophenyl)tetrahydro-) Related Products
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