Home Other Building Blocks 3-Buten-2-one, 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-, (3E)-

3-Buten-2-one, 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-, (3E)-

CAS No.:
190059-33-7
Catalog Number:
AG002E9X
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
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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
MDL Number:
MFCD07784337
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  
Properties