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Home > Other Heterocycles > 259532-27-9
259532-27-9 | Bicyclo[3.1.1]hept-2-ene, 6,6-dimethyl-2-[2-(phenylmethoxy)ethyl]-
CAS No: 259532-27-9 Catalog No: AG002R6I MDL No:
Product Description
Catalog Number:
AG002R6I
Chemical Name:
Bicyclo[3.1.1]hept-2-ene, 6,6-dimethyl-2-[2-(phenylmethoxy)ethyl]-
CAS Number:
259532-27-9
Molecular Formula:
C18H24O
Molecular Weight:
256.3826
IUPAC Name:
6,6-dimethyl-2-(2-phenylmethoxyethyl)bicyclo[3.1.1]hept-2-ene
InChI:
InChI=1S/C18H24O/c1-18(2)16-9-8-15(17(18)12-16)10-11-19-13-14-6-4-3-5-7-14/h3-8,16-17H,9-13H2,1-2H3
InChI Key:
VZTCOMJNYWLOOB-UHFFFAOYSA-N
SMILES:
CC1(C)C2CC=C(C1C2)CCOCc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.389g/mol
Monoisotopic Mass:
256.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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