Cas no 52549-07-2 ( )
structure
Product Name:
CAS No:52549-07-2
MF:C14H11NO3
MW:241.242043733597
CID:937088
PubChem ID:323005
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(5H-chromeno[2,3-b]pyridin-7-yl)acetic acid
- 5H-[1]Benzopyrano[2,3-b]pyridine-7-acetic acid
- AC1L87O6
- AM806728
- NSC281724
- NSC-281724
- SureCN9790203
- KFCLXFOOVXFBNL-UHFFFAOYSA-N
- DTXSID80314253
- 5H-chromeno[2,3-b]pyridin-7-ylacetic acid
- CHEMBL2138347
- MLS003115531
- 5H-[1]benzopyrano[2,3-b]-pyridin-7-yl-acetic acid
- SMR001831106
- 52549-07-2
- SCHEMBL9790203
-
-
- Inchi： 1S/C14H11NO3/c16-13(17)7-9-3-4-12-11(6-9)8-10-2-1-5-15-14(10)18-12/h1-6H,7-8H2,(H,16,17)
- InChI Key： KFCLXFOOVXFBNL-UHFFFAOYSA-N
- SMILES： O1C2C(=CC=CN=2)CC2C=C(CC(=O)O)C=CC1=2
Computed Properties
- Exact Mass: 241.07393
- Monoisotopic Mass: 241.073893
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 320
- 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: 59.4
- XLogP3: 2.2
Experimental Properties
- Density: 1.356
- Boiling Point: 473.4°C at 760 mmHg
- Flash Point: 240.1°C
- Refractive Index: 1.646
- PSA: 59.42
Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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