Home Other Building Blocks Borinic acid, bis[(1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,methyl ester

Borinic acid, bis[(1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,methyl ester

CAS No.:
85134-98-1
Catalog Number:
AG00G41D
Molecular Formula:
C21H37BO
Molecular Weight:
316.3289
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Product Description
Catalog Number:
AG00G41D
Chemical Name:
Borinic acid, bis[(1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,methyl ester
CAS Number:
85134-98-1
Molecular Formula:
C21H37BO
Molecular Weight:
316.3289
MDL Number:
MFCD00074809
IUPAC Name:
methoxy-bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
InChI:
InChI=1S/C21H37BO/c1-12-16-8-14(20(16,3)4)10-18(12)22(23-7)19-11-15-9-17(13(19)2)21(15,5)6/h12-19H,8-11H2,1-7H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
InChI Key:
IAQXEQYLQNNXJC-NQWKWHCYSA-N
SMILES:
COB([C@H]1C[C@@H]2C[C@H]([C@@H]1C)C2(C)C)[C@H]1C[C@@H]2C[C@H]([C@@H]1C)C2(C)C
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
316.294g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.336g/mol
Monoisotopic Mass:
316.294g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties