Cas no 102909-09-1 (Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester)
102909-09-1 structure
Product Name:Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester
CAS No:102909-09-1
MF:C9H11NO5S
MW:245.252341508865
CID:1134606
PubChem ID:13852480
Update Time:2025-04-20
Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester
- 2-hydroxyethyl 2-sulfamoylbenzoate
- DTXSID00551229
- JHENOANIMKFEMS-UHFFFAOYSA-N
- 2-Aminosulfonylbenzoic acid, 2-hydroxyethyl ester
- 102909-09-1
-
- Inchi: 1S/C9H11NO5S/c10-16(13,14)8-4-2-1-3-7(8)9(12)15-6-5-11/h1-4,11H,5-6H2,(H2,10,13,14)
- InChI Key: JHENOANIMKFEMS-UHFFFAOYSA-N
- SMILES: S(C1C=CC=CC=1C(=O)OCCO)(N)(=O)=O
Computed Properties
- Exact Mass: 245.03583
- Monoisotopic Mass: 245.03579362g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 334
- 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: -0.3
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 106.69
Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
102909-09-1 (Benzoic acid, 2-(aminosulfonyl)-, 2-hydroxyethyl ester) Related Products
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