Cas no 64725-91-3 (Ethanone, 1-(8-hydroxy-4-methoxy-1-naphthalenyl)-)
64725-91-3 structure
Product Name:Ethanone, 1-(8-hydroxy-4-methoxy-1-naphthalenyl)-
CAS No:64725-91-3
MF:C13H12O3
MW:216.232583999634
CID:1680505
PubChem ID:659636
Update Time:2025-04-21
Ethanone, 1-(8-hydroxy-4-methoxy-1-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(8-hydroxy-4-methoxy-1-naphthalenyl)-
- 1-(8-hydroxy-4-methoxynaphthalen-1-yl)ethanone
- STK838350
- MLS000080005
- AKOS005624692
- 1-acetyl-8-hydroxy-4-methoxynaphthalene
- CBMicro_015290
- HMS3319C02
- 1-(8-hydroxy-4-methoxynaphthalen-1-yl)ethan-1-one
- BIM-0015197.P001
- CHEMBL1448876
- DTXSID10349755
- HMS2161A09
- 64725-91-3
- SMR000040725
-
- Inchi： 1S/C13H12O3/c1-8(14)9-6-7-12(16-2)10-4-3-5-11(15)13(9)10/h3-7,15H,1-2H3
- InChI Key： HEGADLSVWOYXFY-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C(C)=O)=C2C(=CC=CC2=1)O
Computed Properties
- Exact Mass: 216.07866
- Monoisotopic Mass: 216.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 264
- 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: 2.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Ethanone, 1-(8-hydroxy-4-methoxy-1-naphthalenyl)- Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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