Cas no 186800-77-1 (Benzoic acid,4-(acetylamino)-3-formyl-)
186800-77-1 structure
Product Name:Benzoic acid,4-(acetylamino)-3-formyl-
CAS No:186800-77-1
MF:C10H9NO4
MW:207.182762861252
CID:114919
PubChem ID:45089781
Update Time:2025-04-18
Benzoic acid,4-(acetylamino)-3-formyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(acetylamino)-3-formyl-
- Benzoic acid, 4-(acetylamino)-3-formyl- (9CI)
- 4-Acetamido-3-formylbenzoic acid
- 186800-77-1
- EN300-9845658
-
- Inchi： 1S/C10H9NO4/c1-6(13)11-9-3-2-7(10(14)15)4-8(9)5-12/h2-5H,1H3,(H,11,13)(H,14,15)
- InChI Key： HYJJBMPJLGFVEN-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=C(C=O)C=1)NC(C)=O)=O
Computed Properties
- Exact Mass: 207.05317
- Monoisotopic Mass: 207.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 277
- 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
- Topological Polar Surface Area: 83.5A^2
- XLogP3: 0.6
Experimental Properties
- PSA: 83.47
Benzoic acid,4-(acetylamino)-3-formyl- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
186800-77-1 (Benzoic acid,4-(acetylamino)-3-formyl-) Related Products
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