Cas no 88284-14-4 (3-Quinolinecarboxylic acid, 2-butoxy-)
88284-14-4 structure
Product Name:3-Quinolinecarboxylic acid, 2-butoxy-
CAS No:88284-14-4
MF:C14H15NO3
MW:245.273803949356
CID:638794
PubChem ID:60764662
Update Time:2025-04-19
3-Quinolinecarboxylic acid, 2-butoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Quinolinecarboxylic acid, 2-butoxy-
- 2-butoxyquinoline-3-carboxylic acid
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- Inchi： 1S/C14H15NO3/c1-2-3-8-18-13-11(14(16)17)9-10-6-4-5-7-12(10)15-13/h4-7,9H,2-3,8H2,1H3,(H,16,17)
- InChI Key： ATKHOKWXTUCWGI-UHFFFAOYSA-N
- SMILES： O(C1C(C(=O)O)=CC2C=CC=CC=2N=1)CCCC
Computed Properties
- Exact Mass: 245.10519334g/mol
- Monoisotopic Mass: 245.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 282
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 59.4?2
3-Quinolinecarboxylic acid, 2-butoxy- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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