Cas no 57543-63-2 (2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-)
57543-63-2 structure
Product Name:2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-
CAS No:57543-63-2
MF:C11H10O4
MW:206.194703578949
CID:1604905
PubChem ID:13928947
Update Time:2025-04-21
2H-1-Benzopyran-3-carboxylic acid, 5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-
- FWQWIQPLYSRSDQ-UHFFFAOYSA-N
- DB-139944
- 5-methoxy-2H-chromene-3-carboxylic acid
- 57543-63-2
- DTXSID101260066
- 5-methoxy-2H-1-benzopyran-3-carboxylic acid
- SCHEMBL5763911
-
- Inchi： 1S/C11H10O4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-5H,6H2,1H3,(H,12,13)
- InChI Key： FWQWIQPLYSRSDQ-UHFFFAOYSA-N
- SMILES： O1CC(C(=O)O)=CC2C(=CC=CC1=2)OC
Computed Properties
- Exact Mass: 206.0579
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 284
- 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: 1.5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.332
- Boiling Point: 374.422 °C at 760 mmHg
- Flash Point: 150.469 °C
- PSA: 55.76
2H-1-Benzopyran-3-carboxylic acid, 5-methoxy- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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