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Home > Boronic Acids > 1591906-87-4
1591906-87-4 | 4-Isopropylcyclohexenylboronic acid pinacol ester
CAS No: 1591906-87-4 Catalog No: AG00HYIS MDL No:MFCD22684711
Product Description
Catalog Number:
AG00HYIS
Chemical Name:
4-Isopropylcyclohexenylboronic acid pinacol ester
CAS Number:
1591906-87-4
Molecular Formula:
C15H27BO2
Molecular Weight:
250.1847
MDL Number:
MFCD22684711
IUPAC Name:
4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C15H27BO2/c1-11(2)12-7-9-13(10-8-12)16-17-14(3,4)15(5,6)18-16/h9,11-12H,7-8,10H2,1-6H3
InChI Key:
ACYGRPVWJQOCHH-UHFFFAOYSA-N
SMILES:
CC(C1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.21g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.189g/mol
Monoisotopic Mass:
250.21g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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