Cas no 56507-31-4 (2-Naphthalenecarboxylic acid, 3-hydroxy-5,7-disulfo-)
56507-31-4 structure
Product Name:2-Naphthalenecarboxylic acid, 3-hydroxy-5,7-disulfo-
CAS No:56507-31-4
MF:C11H8O9S2
MW:348.305821418762
CID:348725
PubChem ID:23422563
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 3-hydroxy-5,7-disulfo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 3-hydroxy-5,7-disulfo-
- 3-hydroxy-5,7-disulfonaphthalene-2-carboxylic acid
- DTXSID30633840
- 56507-31-4
- 3-hydroxy-5,7-disulfo-2-naphthoic acid
- SCHEMBL368397
-
- Inchi： 1S/C11H8O9S2/c12-9-4-7-5(2-8(9)11(13)14)1-6(21(15,16)17)3-10(7)22(18,19)20/h1-4,12H,(H,13,14)(H,15,16,17)(H,18,19,20)
- InChI Key： SKMUYYVJCDNFGM-UHFFFAOYSA-N
- SMILES： S(C1C=C(C=C2C=C(C(=O)O)C(=CC2=1)O)S(=O)(=O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 347.96094
- Monoisotopic Mass: 347.96097418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 642
- 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: 0.4
- Topological Polar Surface Area: 183?2
Experimental Properties
- PSA: 166.27
2-Naphthalenecarboxylic acid, 3-hydroxy-5,7-disulfo- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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