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Home > Boronic Acids > 76110-78-6
76110-78-6 | 4,6-Methano-1,3,2-benzodioxaborole,hexahydro-3a,5,5-trimethyl-2-phenyl-, (3aS,4S,6S,7aR)-
CAS No: 76110-78-6 Catalog No: AG00ICPB MDL No:MFCD28098211
Product Description
Catalog Number:
AG00ICPB
Chemical Name:
4,6-Methano-1,3,2-benzodioxaborole,hexahydro-3a,5,5-trimethyl-2-phenyl-, (3aS,4S,6S,7aR)-
CAS Number:
76110-78-6
Molecular Formula:
C16H21BO2
Molecular Weight:
256.1477
MDL Number:
MFCD28098211
IUPAC Name:
(1S,2S,6R,8S)-2,9,9-trimethyl-4-phenyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
InChI:
InChI=1S/C16H21BO2/c1-15(2)11-9-13(15)16(3)14(10-11)18-17(19-16)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13-,14+,16-/m0/s1
InChI Key:
OZQWJKOXOILFRR-ZIEJDFEHSA-N
SMILES:
C[C@]12OB(O[C@H]1C[C@H]1C[C@@H]2C1(C)C)c1ccccc1
UNII:
YYV77I5ODT
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
256.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.152g/mol
Monoisotopic Mass:
256.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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