Cas no 103906-11-2 (1-Naphthalenecarboxylicacid, 6-amino-5-hydroxy-)
103906-11-2 structure
Product Name:1-Naphthalenecarboxylicacid, 6-amino-5-hydroxy-
CAS No:103906-11-2
MF:C11H9NO3
MW:203.194062948227
CID:125929
PubChem ID:57357289
Update Time:2025-04-18
1-Naphthalenecarboxylicacid, 6-amino-5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxylicacid, 6-amino-5-hydroxy-
- 1-Naphthoicacid, 6-amino-5-hydroxy- (6CI)
- 6-amino-5-hydroxynaphthalene-1-carboxylic acid
- 1-Naphthoicacid,6-amino-5-hydroxy-(6CI)
- DTXSID90723615
- 103906-11-2
- 6-amino-5-hydroxy-1-naphthoic acid
-
- Inchi： 1S/C11H9NO3/c12-9-5-4-6-7(10(9)13)2-1-3-8(6)11(14)15/h1-5,13H,12H2,(H,14,15)
- InChI Key： YUWQSORCIPNNKE-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC2=C(C(=O)O)C=CC=C21)N
Computed Properties
- Exact Mass: 203.05827
- Monoisotopic Mass: 203.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 256
- 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
- Surface Charge: 0
- Tautomer Count: 23
- XLogP3: 1.7
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 83.55
1-Naphthalenecarboxylicacid, 6-amino-5-hydroxy- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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