200,000+ products from a single source!
sales@angenechem.com
72447-55-3 | 2-Oxabicyclo[2.2.2]octane-3-carboxylic acid, 1,3-dimethyl-
CAS No: 72447-55-3 Catalog No: AG005HFT MDL No:
Product Description
Catalog Number:
AG005HFT
Chemical Name:
2-Oxabicyclo[2.2.2]octane-3-carboxylic acid, 1,3-dimethyl-
CAS Number:
72447-55-3
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
1,3-dimethyl-2-oxabicyclo[2.2.2]octane-3-carboxylic acid
InChI:
InChI=1S/C10H16O3/c1-9-5-3-7(4-6-9)10(2,13-9)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChI Key:
XDHKYJMADYAFIJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)OC2(C)CCC1CC2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.