Cas no 105284-13-7 (1-Naphthalenecarboxylicacid, 6,7-dihydroxy-)
105284-13-7 structure
Product Name:1-Naphthalenecarboxylicacid, 6,7-dihydroxy-
CAS No:105284-13-7
MF:C11H8O4
MW:204.178823471069
CID:126664
PubChem ID:45092957
Update Time:2025-04-18
1-Naphthalenecarboxylicacid, 6,7-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxylicacid, 6,7-dihydroxy-
- 1-Naphthalenecarboxylic acid, 6,7-dihydroxy- (9CI)
- 6,7-dihydroxynaphthalene-1-carboxylic acid
- DTXSID70667129
- SCHEMBL3390582
- 6,7-dihydroxy-1-naphthoic acid
- 105284-13-7
-
- Inchi： 1S/C11H8O4/c12-9-4-6-2-1-3-7(11(14)15)8(6)5-10(9)13/h1-5,12-13H,(H,14,15)
- InChI Key： PCENVZFAURUMQP-UHFFFAOYSA-N
- SMILES： OC1C(=CC2=CC=CC(C(=O)O)=C2C=1)O
Computed Properties
- Exact Mass: 204.04224
- Monoisotopic Mass: 204.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 2.4
- Topological Polar Surface Area: 77.8A^2
Experimental Properties
- PSA: 77.76
- LogP: 1.94920
1-Naphthalenecarboxylicacid, 6,7-dihydroxy- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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