Cas no 102338-89-6 (Benzoic acid,2-(acetyloxy)-4-amino-)
102338-89-6 structure
Product Name:Benzoic acid,2-(acetyloxy)-4-amino-
CAS No:102338-89-6
MF:C9H9NO4
MW:195.172062635422
CID:125029
PubChem ID:147034
Update Time:2025-04-18
Benzoic acid,2-(acetyloxy)-4-amino- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(acetyloxy)-4-amino-
- 2-acetyloxy-4-aminobenzoic acid
- acetyl 4-aminosalicylic acid
- 2-(acetyloxy)-4-aminobenzoic acid
- Acetyl p-aminosalicylic acid
- Acetyl-pas-saeure
- Acetyl-pas-saeure [German]
- BRN 3285180
- Salicylic acid, 4-amino-, acetate
- SCHEMBL4737527
- 2-Acetoxy4-aminobenzoic acid
- acetyl-p-aminosalicylic acid
- 102338-89-6
- DTXSID80144916
- 2-acetoxy-4-aminobenzoic acid
- 4-14-00-01972 (Beilstein Handbook Reference)
- OGBZOXBEULJKHF-UHFFFAOYSA-N
-
- Inchi： 1S/C9H9NO4/c1-5(11)14-8-4-6(10)2-3-7(8)9(12)13/h2-4H,10H2,1H3,(H,12,13)
- InChI Key： OGBZOXBEULJKHF-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=C(C=CC=1C(=O)O)N
Computed Properties
- Exact Mass: 195.05317
- Monoisotopic Mass: 195.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 241
- 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: 89.6?2
- XLogP3: 0.4
Experimental Properties
- Density: 1.375
- Boiling Point: 403.4°Cat760mmHg
- Flash Point: 197.8°C
- Refractive Index: 1.603
- PSA: 89.62
- LogP: 1.47350
Benzoic acid,2-(acetyloxy)-4-amino- Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
102338-89-6 (Benzoic acid,2-(acetyloxy)-4-amino-) Related Products
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