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Home > Boronic Acids > 131433-93-7
131433-93-7 | 4,6-Methano-1,3,2-benzodioxaborole, hexahydro-3a,5,5-trimethyl-2-(2-propen-1-yl)-, (3aS,4S,6S,7aR)-
CAS No: 131433-93-7 Catalog No: AG000W5N MDL No:
Product Description
Catalog Number:
AG000W5N
Chemical Name:
4,6-Methano-1,3,2-benzodioxaborole, hexahydro-3a,5,5-trimethyl-2-(2-propen-1-yl)-, (3aS,4S,6S,7aR)-
CAS Number:
131433-93-7
Molecular Formula:
C13H21BO2
Molecular Weight:
220.1156
IUPAC Name:
(1S,2S,6R,8S)-2,9,9-trimethyl-4-prop-2-enyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
InChI:
InChI=1S/C13H21BO2/c1-5-6-14-15-11-8-9-7-10(12(9,2)3)13(11,4)16-14/h5,9-11H,1,6-8H2,2-4H3/t9-,10-,11+,13-/m0/s1
InChI Key:
ZWEMLWHNKCNXMY-KQXIARHKSA-N
SMILES:
C=CCB1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
220.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.119g/mol
Monoisotopic Mass:
220.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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