200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 177317-18-9
177317-18-9 | 6,8-Dioxabicyclo[3.2.1]octan-2-ol, 7-ethyl-5-methyl-, (1R,2R,5S,7S)-
CAS No: 177317-18-9 Catalog No: AG00258O MDL No:
Product Description
Catalog Number:
AG00258O
Chemical Name:
6,8-Dioxabicyclo[3.2.1]octan-2-ol, 7-ethyl-5-methyl-, (1R,2R,5S,7S)-
CAS Number:
177317-18-9
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
(1R,2R,5S,7S)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol
InChI:
InChI=1S/C9H16O3/c1-3-7-8-6(10)4-5-9(2,11-7)12-8/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-,9+/m1/s1
InChI Key:
PFDZIEBTGBMYIS-XAVMHZPKSA-N
SMILES:
CC[C@@H]1O[C@]2(O[C@@H]1[C@H](O)CC2)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.