Cas no 53413-97-1 ( )
structure
Product Name:
CAS No:53413-97-1
MF:C20H14N2O4
MW:346.336164951324
CID:938495
PubChem ID:308333
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-[5-(2-carboxypyrrol-1-yl)naphthalen-1-yl]pyrrole-2-carboxylic acid
- NSC209519
- 53413-97-1
- NSC-209519
- DTXSID30308804
-
-
- Inchi： 1S/C20H14N2O4/c23-19(24)17-9-3-11-21(17)15-7-1-5-13-14(15)6-2-8-16(13)22-12-4-10-18(22)20(25)26/h1-12H,(H,23,24)(H,25,26)
- InChI Key： ABJSUXBMKDIJBH-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CN1C1=CC=CC2=C(C=CC=C21)N1C=CC=C1C(=O)O)=O
Computed Properties
- Exact Mass: 346.09542
- Monoisotopic Mass: 346.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 506
- 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: 3.7
- Topological Polar Surface Area: 84.5?2
Experimental Properties
- PSA: 84.46
Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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