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162274-77-3 | Benzene, 1-methoxy-4-(2E)-2-octen-1-yl-
CAS No: 162274-77-3 Catalog No: AG001SXH MDL No:
Product Description
Catalog Number:
AG001SXH
Chemical Name:
Benzene, 1-methoxy-4-(2E)-2-octen-1-yl-
CAS Number:
162274-77-3
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
1-methoxy-4-oct-2-enylbenzene
InChI:
InChI=1S/C15H22O/c1-3-4-5-6-7-8-9-14-10-12-15(16-2)13-11-14/h7-8,10-13H,3-6,9H2,1-2H3
InChI Key:
ZIPSCWNBROYTHK-UHFFFAOYSA-N
SMILES:
CCCCC/C=C/Cc1ccc(cc1)OC
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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