Cas no 183430-33-3 (Benzoic acid,4-(acetylamino)-3-(hydroxymethyl)-)
183430-33-3 structure
Product Name:Benzoic acid,4-(acetylamino)-3-(hydroxymethyl)-
CAS No:183430-33-3
MF:C10H11NO4
MW:209.198642969131
CID:114093
PubChem ID:506081
Update Time:2025-04-18
Benzoic acid,4-(acetylamino)-3-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(acetylamino)-3-(hydroxymethyl)-
- Benzoic acid, 4-(acetylamino)-3-(hydroxymethyl)- (9CI)
- 4-(acetylamino)-3-(hydroxymethyl)benzoic acid
- SCHEMBL2340516
- 183430-33-3
- Benzoic acid, 4-(acetylamino)-3-(hydroxymethyl)-
- 4-acetamido-3-(hydroxymethyl)benzoic acid
- CHEMBL130309
-
- Inchi： 1S/C10H11NO4/c1-6(13)11-9-3-2-7(10(14)15)4-8(9)5-12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
- InChI Key： MMFGAGMYSSLOEL-UHFFFAOYSA-N
- SMILES： OCC1C=C(C(=O)O)C=CC=1NC(C)=O
Computed Properties
- Exact Mass: 209.06883
- Monoisotopic Mass: 209.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 254
- 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: 86.6?2
Experimental Properties
- PSA: 86.63
Benzoic acid,4-(acetylamino)-3-(hydroxymethyl)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
183430-33-3 (Benzoic acid,4-(acetylamino)-3-(hydroxymethyl)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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