Cas no 63409-05-2 (1-Naphthalenecarboxylic acid, 6-formyl-)
63409-05-2 structure
Product Name:1-Naphthalenecarboxylic acid, 6-formyl-
CAS No:63409-05-2
MF:C12H8O3
MW:200.190123558044
CID:1651158
PubChem ID:18003755
Update Time:2025-04-21
1-Naphthalenecarboxylic acid, 6-formyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxylic acid, 6-formyl-
- 6-Formyl-1-naphthalenecarboxylic acid
- DTXSID501285258
- 63409-05-2
- SCHEMBL7196013
-
- Inchi： 1S/C12H8O3/c13-7-8-4-5-10-9(6-8)2-1-3-11(10)12(14)15/h1-7H,(H,14,15)
- InChI Key： GHYXDWFKORHJNL-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=C2C=C(C=O)C=CC2=1)=O
Computed Properties
- Exact Mass: 200.04734
- Monoisotopic Mass: 200.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 2.6
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
1-Naphthalenecarboxylic acid, 6-formyl- Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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