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Home > Boronic Acids > 350498-94-1
350498-94-1 | 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEPTANONE
CAS No: 350498-94-1 Catalog No: AG01BUIR MDL No:MFCD22208533
Product Description
Catalog Number:
AG01BUIR
Chemical Name:
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEPTANONE
CAS Number:
350498-94-1
Molecular Formula:
C13H23BO3
Molecular Weight:
238.1309
MDL Number:
MFCD22208533
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptan-1-one
InChI:
InChI=1S/C13H23BO3/c1-12(2)13(3,4)17-14(16-12)10-7-5-6-8-11(15)9-10/h10H,5-9H2,1-4H3
InChI Key:
OBKJEEXUXXCBDA-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(C1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.174g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.134g/mol
Monoisotopic Mass:
238.174g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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