Cas no 59777-74-1 (BENZOIC ACID, 2-(AMINOSULFONYL)-, BUTYL ESTER)
59777-74-1 structure
Product Name:BENZOIC ACID, 2-(AMINOSULFONYL)-, BUTYL ESTER
CAS No:59777-74-1
MF:C11H15NO4S
MW:257.30610203743
CID:3381917
Update Time:2025-04-21
BENZOIC ACID, 2-(AMINOSULFONYL)-, BUTYL ESTER Chemical and Physical Properties
Names and Identifiers
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- BENZOIC ACID, 2-(AMINOSULFONYL)-, BUTYL ESTER
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- Inchi： 1S/C11H15NO4S/c1-2-3-8-16-11(13)9-6-4-5-7-10(9)17(12,14)15/h4-7H,2-3,8H2,1H3,(H2,12,14,15)
- InChI Key： ZSJQAKDZFSQLGS-UHFFFAOYSA-N
- SMILES： C(OCCCC)(=O)C1=CC=CC=C1S(N)(=O)=O
Computed Properties
- Exact Mass: 257.072
- Monoisotopic Mass: 257.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 347
- 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: 3
- Topological Polar Surface Area: 94.8A^2
BENZOIC ACID, 2-(AMINOSULFONYL)-, BUTYL ESTER Related Literature
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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