200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1126-91-6
1126-91-6 | 2-Oxabicyclo[3.2.1]octan-3-one,1,8,8-trimethyl-
CAS No: 1126-91-6 Catalog No: AG0079B2 MDL No:
Product Description
Catalog Number:
AG0079B2
Chemical Name:
2-Oxabicyclo[3.2.1]octan-3-one,1,8,8-trimethyl-
CAS Number:
1126-91-6
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3
InChI Key:
AXRMSBLBSHJLGO-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(O1)(C2(C)C)C
NSC Number:
120532
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
© 2019 Angene International Limited. All rights Reserved.