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Home > Other Heterocycles > 114640-63-0
114640-63-0 | Bicyclo[2.2.1]hept-2-ene, 5-[1-(2-propyn-1-yloxy)ethyl]-
CAS No: 114640-63-0 Catalog No: AG000EWQ MDL No:
Product Description
Catalog Number:
AG000EWQ
Chemical Name:
Bicyclo[2.2.1]hept-2-ene, 5-[1-(2-propyn-1-yloxy)ethyl]-
CAS Number:
114640-63-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
5-(1-prop-2-ynoxyethyl)bicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C12H16O/c1-3-6-13-9(2)12-8-10-4-5-11(12)7-10/h1,4-5,9-12H,6-8H2,2H3
InChI Key:
RMWHEWCVHKHSSR-UHFFFAOYSA-N
SMILES:
CC(C1CC2CC1C=C2)OCC#C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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