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680596-79-6 | 1,4-Dioxa-spiro[4,5]dec-7-en-8-boronic acid, pinacol ester
CAS No: 680596-79-6 Catalog No: AG0038HS MDL No:MFCD04115656
Product Description
Catalog Number:
AG0038HS
Chemical Name:
1,4-Dioxa-spiro[4,5]dec-7-en-8-boronic acid, pinacol ester
CAS Number:
680596-79-6
Molecular Formula:
C14H23BO4
Molecular Weight:
266.1410
MDL Number:
MFCD04115656
IUPAC Name:
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5H,6-10H2,1-4H3
InChI Key:
JCHWHOHZZYWUMP-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)C1=CCC2(CC1)OCCO2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.144g/mol
Monoisotopic Mass:
266.169g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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