Cas no 27581-07-3 (1-Naphthalenol, 2-methoxy-, acetate)
27581-07-3 structure
Product Name:1-Naphthalenol, 2-methoxy-, acetate
CAS No:27581-07-3
MF:C13H12O3
MW:216.232583999634
CID:1431585
PubChem ID:12523737
Update Time:2025-04-20
1-Naphthalenol, 2-methoxy-, acetate Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenol, 2-methoxy-, acetate
- 1-acetoxy-2-methoxynaphthalene
- DTXSID80873456
- 27581-07-3
- AKOS015901742
- 2-Methoxynaphthalen-1-ylacetate
- 1-Acetoxy-2-methoxy-naphthalin
- (2-methoxynaphthalen-1-yl) acetate
- 2-Methoxynaphthalen-1-yl acetate
- SCHEMBL455028
-
- Inchi： 1S/C13H12O3/c1-9(14)16-13-11-6-4-3-5-10(11)7-8-12(13)15-2/h3-8H,1-2H3
- InChI Key： MGGSWVYDMAQMCP-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C(=CC=C2C=CC=CC2=1)OC
Computed Properties
- Exact Mass: 234.08922
- Monoisotopic Mass: 216.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 2.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 66.76
1-Naphthalenol, 2-methoxy-, acetate Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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