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Home > Other Heterocycles > 101-00-8
101-00-8 | 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-
CAS No: 101-00-8 Catalog No: AG0003F7 MDL No:MFCD03791298
Product Description
Catalog Number:
AG0003F7
Chemical Name:
2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-
CAS Number:
101-00-8
Molecular Formula:
C9H18BNO3
Molecular Weight:
199.0551
MDL Number:
MFCD03791298
IUPAC Name:
3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
InChI:
InChI=1S/C9H18BNO3/c1-7-4-11-5-8(2)13-10(12-7)14-9(3)6-11/h7-9H,4-6H2,1-3H3
InChI Key:
IWKGJTDSJPLUCE-UHFFFAOYSA-N
SMILES:
CC1OB2OC(CN(C1)CC(O2)C)C
NSC Number:
15099
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.138g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.057g/mol
Monoisotopic Mass:
199.138g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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