200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 190059-33-7
190059-33-7 | 3-Buten-2-one, 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-, (3E)-
CAS No: 190059-33-7 Catalog No: AG002E9X MDL No:
Product Description
Catalog Number:
AG002E9X
Chemical Name:
3-Buten-2-one, 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-, (3E)-
CAS Number:
190059-33-7
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
(E)-4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)but-3-en-2-one
InChI:
InChI=1S/C13H20O2/c1-9(14)5-6-10-12(2,3)8-7-11-13(10,4)15-11/h5-6,10-11H,7-8H2,1-4H3/b6-5+
InChI Key:
ODMUHAHUBCUABS-AATRIKPKSA-N
SMILES:
CC(=O)/C=C/C1C(C)(C)CCC2C1(C)O2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.