Cas no 372521-90-9 (Boronic acid,(4,5-diethoxy-1-naphthalenyl)- (9CI))
372521-90-9 structure
Product Name:Boronic acid,(4,5-diethoxy-1-naphthalenyl)- (9CI)
CAS No:372521-90-9
MF:C14H17BO4
MW:260.093384504318
CID:297896
PubChem ID:45116886
Update Time:2025-04-19
Boronic acid,(4,5-diethoxy-1-naphthalenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid,(4,5-diethoxy-1-naphthalenyl)- (9CI)
- (4,5-diethoxynaphthalen-1-yl)boronic acid
- 372521-90-9
- starbld0018468
- DTXSID70668510
- (4,5-Diethoxy-1-naphthyl)boronic acid
-
- Inchi： 1S/C14H17BO4/c1-3-18-12-7-5-6-10-11(15(16)17)8-9-13(14(10)12)19-4-2/h5-9,16-17H,3-4H2,1-2H3
- InChI Key： FDMMLTULVXQCMN-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(B(O)O)=C2C=CC=C(C2=1)OCC
Computed Properties
- Exact Mass: 260.122
- Monoisotopic Mass: 260.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 274
- 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: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 58.9A^2
Experimental Properties
- PSA: 58.92000
- LogP: 1.31700
Boronic acid,(4,5-diethoxy-1-naphthalenyl)- (9CI) Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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