200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 189028-68-0
189028-68-0 | Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-2-(nitrooxy)-, (1S,2S,5S)-
CAS No: 189028-68-0 Catalog No: AG002HPK MDL No:
Product Description
Catalog Number:
AG002HPK
Chemical Name:
Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-2-(nitrooxy)-, (1S,2S,5S)-
CAS Number:
189028-68-0
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
IUPAC Name:
[(1S,2S,5S)-2,6,6-trimethyl-3-oxo-2-bicyclo[3.1.1]heptanyl] nitrate
InChI:
InChI=1S/C10H15NO4/c1-9(2)6-4-7(9)10(3,8(12)5-6)15-11(13)14/h6-7H,4-5H2,1-3H3/t6-,7-,10-/m0/s1
InChI Key:
BCIULZBFFUODJR-BYULHYEWSA-N
SMILES:
[O-][N+](=O)O[C@]1(C)C(=O)C[C@@H]2C[C@H]1C2(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.