Cas no 791009-51-3 (1,4-Benzodioxin-5-carboxylicacid, 6-amino-2,3-dihydro-)
791009-51-3 structure
Product Name:1,4-Benzodioxin-5-carboxylicacid, 6-amino-2,3-dihydro-
CAS No:791009-51-3
MF:C9H9NO4
MW:195.172062635422
CID:555357
PubChem ID:20544696
Update Time:2025-04-19
1,4-Benzodioxin-5-carboxylicacid, 6-amino-2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzodioxin-5-carboxylicacid, 6-amino-2,3-dihydro-
- 1,4-Benzodioxin-5-carboxylicacid,6-amino-2,3-dihydro-(9CI)
- 6-amino-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
- 791009-51-3
- SCHEMBL15569955
- DTXSID80608548
-
- Inchi： 1S/C9H9NO4/c10-5-1-2-6-8(7(5)9(11)12)14-4-3-13-6/h1-2H,3-4,10H2,(H,11,12)
- InChI Key： PDUIYXZLRIYDTB-UHFFFAOYSA-N
- SMILES： O1CCOC2C=CC(=C(C(=O)O)C1=2)N
Computed Properties
- Exact Mass: 195.05315777g/mol
- Monoisotopic Mass: 195.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 233
- 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
- Topological Polar Surface Area: 81.8?2
1,4-Benzodioxin-5-carboxylicacid, 6-amino-2,3-dihydro- Related Literature
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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