Cas no 873378-07-5 (1,4-Benzodioxan-5-carboxylic acid, 6-hydroxy- (4CI))
873378-07-5 structure
Product Name:1,4-Benzodioxan-5-carboxylic acid, 6-hydroxy- (4CI)
CAS No:873378-07-5
MF:C9H8O5
MW:196.156823158264
CID:709520
PubChem ID:57358958
Update Time:2025-04-19
1,4-Benzodioxan-5-carboxylic acid, 6-hydroxy- (4CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzodioxan-5-carboxylic acid, 6-hydroxy- (4CI)
- 1,4-Benzodioxin-5-carboxylicacid, 2,3-dihydro-6-hydroxy-
- 6-hydroxy-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
- DTXSID80724313
- 873378-07-5
-
- Inchi： 1S/C9H8O5/c10-5-1-2-6-8(7(5)9(11)12)14-4-3-13-6/h1-2,10H,3-4H2,(H,11,12)
- InChI Key： JIRJNRNKJIUAGM-UHFFFAOYSA-N
- SMILES： O1CCOC2C=CC(=C(C(=O)O)C1=2)O
Computed Properties
- Exact Mass: 196.03717335g/mol
- Monoisotopic Mass: 196.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 1.4
- Topological Polar Surface Area: 76?2
1,4-Benzodioxan-5-carboxylic acid, 6-hydroxy- (4CI) Related Literature
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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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
873378-07-5 (1,4-Benzodioxan-5-carboxylic acid, 6-hydroxy- (4CI)) Related Products
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