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Home > Other Heterocycles > 89354-17-6
89354-17-6 | 7-Oxabicyclo[2.2.1]heptane, 2-(2-butenylidene)-1,3,3-trimethyl-
CAS No: 89354-17-6 Catalog No: AG003Y1O MDL No:
Product Description
Catalog Number:
AG003Y1O
Chemical Name:
7-Oxabicyclo[2.2.1]heptane, 2-(2-butenylidene)-1,3,3-trimethyl-
CAS Number:
89354-17-6
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
2-but-2-enylidene-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptane
InChI:
InChI=1S/C13H20O/c1-5-6-7-10-12(2,3)11-8-9-13(10,4)14-11/h5-7,11H,8-9H2,1-4H3
InChI Key:
RRUCICKXWFEVIP-UHFFFAOYSA-N
SMILES:
CC=CC=C1C2(C)CCC(C1(C)C)O2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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