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254892-99-4

254892-99-4 | Boronic acid,[4-(5,8-dioxaspiro[3.4]oct-2-yl)phenyl]- (9CI)

CAS No: 254892-99-4 Catalog No: AG007MZ9 MDL No:

Product Description

Catalog Number:
AG007MZ9
Chemical Name:
Boronic acid,[4-(5,8-dioxaspiro[3.4]oct-2-yl)phenyl]- (9CI)
CAS Number:
254892-99-4
Molecular Formula:
C12H15BO4
Molecular Weight:
234.0561
IUPAC Name:
[4-(5,8-dioxaspiro[3.4]octan-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C12H15BO4/c14-13(15)11-3-1-9(2-4-11)10-7-12(8-10)16-5-6-17-12/h1-4,10,14-15H,5-8H2
InChI Key:
FZICXFYHRSMPIV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C1CC2(C1)OCCO2)O

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.058g/mol
Monoisotopic Mass:
234.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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