200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 89590-54-5
89590-54-5 | 3-Oxabicyclo[4.1.0]heptan-2-one, 1-(acetyloxy)-4,4,7,7-tetramethyl-
CAS No: 89590-54-5 Catalog No: AG003XE1 MDL No:
Product Description
Catalog Number:
AG003XE1
Chemical Name:
3-Oxabicyclo[4.1.0]heptan-2-one, 1-(acetyloxy)-4,4,7,7-tetramethyl-
CAS Number:
89590-54-5
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
(4,4,7,7-tetramethyl-2-oxo-3-oxabicyclo[4.1.0]heptan-1-yl) acetate
InChI:
InChI=1S/C12H18O4/c1-7(13)15-12-8(11(12,4)5)6-10(2,3)16-9(12)14/h8H,6H2,1-5H3
InChI Key:
GQSRZMNPTOJINM-UHFFFAOYSA-N
SMILES:
CC(=O)OC12C(=O)OC(CC1C2(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.