Cas no 752236-48-9 (2-Naphthalenecarboxylicacid, 4,6,7-trihydroxy-)
752236-48-9 structure
Product Name:2-Naphthalenecarboxylicacid, 4,6,7-trihydroxy-
CAS No:752236-48-9
MF:C11H8O5
MW:220.178223609924
CID:561706
PubChem ID:45093600
Update Time:2025-04-19
2-Naphthalenecarboxylicacid, 4,6,7-trihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylicacid, 4,6,7-trihydroxy-
- 2-Naphthalenecarboxylic acid, 4,6,7-trihydroxy- (9CI)
- 4,6,7-TRIHYDROXY-2-NAPHTHALENECARBOXYLIC ACID
- 4,6,7-trihydroxynaphthalene-2-carboxylic acid
- 4,6,7-trihydroxy-2-naphthoic acid
- LogP
- SCHEMBL21979549
- 2-Naphthalenecarboxylic acid, 4,6,7-trihydroxy-
- DTXSID80667195
- 752236-48-9
- 2-Naphthalenecarboxylic acid,4,6,7-trihydroxy-
-
- Inchi： 1S/C11H8O5/c12-8-3-6(11(15)16)1-5-2-9(13)10(14)4-7(5)8/h1-4,12-14H,(H,15,16)
- InChI Key： SOOITHILOFOVHO-UHFFFAOYSA-N
- SMILES： OC1C=C(C(=O)O)C=C2C=C(C(=CC2=1)O)O
Computed Properties
- Exact Mass: 220.037
- Monoisotopic Mass: 220.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 280
- 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: 98A^2
- XLogP3: 1.6
Experimental Properties
- Density: 1.676
- Boiling Point: 548.6°C at 760 mmHg
- Flash Point: 299.7°C
- Refractive Index: 1.809
2-Naphthalenecarboxylicacid, 4,6,7-trihydroxy- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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