Cas no 401811-79-8 (1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 6-METHOXY-)
401811-79-8 structure
Product Name:1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 6-METHOXY-
CAS No:401811-79-8
MF:C9H8O5
MW:196.156823158264
CID:3187000
PubChem ID:21936063
Update Time:2025-04-21
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 6-METHOXY- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 6-METHOXY-
- DB-186384
- SCHEMBL5216404
- MFCD27950411
- 6-methoxy-1,3-benzodioxole-4-carboxylic acid
- 6-methoxybenzo[d][1,3]dioxole-4-carboxylicacid
- DTXSID401255533
- 401811-79-8
- SY309806
- 6-methoxybenzo[d][1,3]dioxole-4-carboxylic acid
-
- Inchi： 1S/C9H8O5/c1-12-5-2-6(9(10)11)8-7(3-5)13-4-14-8/h2-3H,4H2,1H3,(H,10,11)
- InChI Key： KCKXXMOVAZNRFS-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C=C(C(=O)O)C1=2)OC
Computed Properties
- Exact Mass: 196.03717335Da
- Monoisotopic Mass: 196.03717335Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- 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: 1.2
- Topological Polar Surface Area: 65?2
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, 6-METHOXY- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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