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Home > Boronic Acids > 85167-10-8
85167-10-8 | (3aS,4S,6S,7aR);-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole
CAS No: 85167-10-8 Catalog No: AG003E6M MDL No:MFCD09037499
Product Description
Catalog Number:
AG003E6M
Chemical Name:
(3aS,4S,6S,7aR);-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole
CAS Number:
85167-10-8
Molecular Formula:
C14H25BO2
Molecular Weight:
236.1581
MDL Number:
MFCD09037499
IUPAC Name:
(1S,2S,6R,8S)-4-butyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
InChI:
InChI=1S/C14H25BO2/c1-5-6-7-15-16-12-9-10-8-11(13(10,2)3)14(12,4)17-15/h10-12H,5-9H2,1-4H3/t10-,11-,12+,14-/m0/s1
InChI Key:
IMUJPBOUZJFWJB-FMSGJZPZSA-N
SMILES:
CCCCB1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
236.195g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.162g/mol
Monoisotopic Mass:
236.195g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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