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66740-05-4 | Boroxin, tris(1-methylethyl)- (9CI)
CAS No: 66740-05-4 Catalog No: AG00FLBH MDL No:
Product Description
Catalog Number:
AG00FLBH
Chemical Name:
Boroxin, tris(1-methylethyl)- (9CI)
CAS Number:
66740-05-4
Molecular Formula:
C9H21B3O3
Molecular Weight:
209.6942
IUPAC Name:
2,4,6-tri(propan-2-yl)-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C9H21B3O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-9H,1-6H3
InChI Key:
GDNDSMXIASPSLH-UHFFFAOYSA-N
SMILES:
CC(B1OB(OB(O1)C(C)C)C(C)C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.177g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.694g/mol
Monoisotopic Mass:
210.177g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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