Cas no 54981-39-4 (Benzenesulfonic acid, 3-(acetylamino)-)
54981-39-4 structure
Product Name:Benzenesulfonic acid, 3-(acetylamino)-
CAS No:54981-39-4
MF:C8H9NO4S
MW:215.226361036301
CID:353155
PubChem ID:1713839
Update Time:2025-04-19
Benzenesulfonic acid, 3-(acetylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 3-(acetylamino)-
- 3-acetamidobenzenesulfonic acid
- 54981-39-4
- 3-Acetamidobenzene sulfonic acid
- SCHEMBL3033845
- OEGZBWNHMRHQKV-UHFFFAOYSA-N
- DTXSID70364883
-
- Inchi： 1S/C8H9NO4S/c1-6(10)9-7-3-2-4-8(5-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
- InChI Key： OEGZBWNHMRHQKV-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)NC(C)=O)(=O)(=O)O
Computed Properties
- Exact Mass: 215.02527
- Monoisotopic Mass: 215.02522894g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 306
- 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
- Topological Polar Surface Area: 91.8?2
Experimental Properties
- PSA: 83.47
Benzenesulfonic acid, 3-(acetylamino)- Related Literature
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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