Cas no 54229-32-2 ( )
structure
Product Name:
CAS No:54229-32-2
MF:C8H8ClNO4
MW:217.606421470642
CID:940135
PubChem ID:5315084
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-aminophthalic acid,hydrochloride
- AC1NSSLP
- ghl.PD_Mitscher_leg0.1316
- NSC159709
- NSC-159709
- 4-Aminobenzene-1,2-dicarboxylic acid--hydrogen chloride (1/1)
- DTXSID10415681
- 4-aminophthalic acid hydrochloride
- 4-Aminophthalic acid HCl
- 54229-32-2
-
-
- Inchi： 1S/C8H7NO4.ClH/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H
- InChI Key： BUBSFFSQBKQSHE-UHFFFAOYSA-N
- SMILES： Cl.OC(C1C=C(C=CC=1C(=O)O)N)=O
Computed Properties
- Exact Mass: 217.01400
- Monoisotopic Mass: 217.0141854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 228
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 100.62000
- LogP: 2.04840
Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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