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823228-17-7 | Benzene, 1-(3-decene-1,5-diynyl)-4-methoxy-
CAS No: 823228-17-7 Catalog No: AG005E1E MDL No:
Product Description
Catalog Number:
AG005E1E
Chemical Name:
Benzene, 1-(3-decene-1,5-diynyl)-4-methoxy-
CAS Number:
823228-17-7
Molecular Formula:
C17H18O
Molecular Weight:
238.3242
IUPAC Name:
1-dec-3-en-1,5-diynyl-4-methoxybenzene
InChI:
InChI=1S/C17H18O/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(18-2)15-13-16/h8-9,12-15H,3-5H2,1-2H3
InChI Key:
AFZFYWSZXOEPII-UHFFFAOYSA-N
SMILES:
CCCCC#CC=CC#Cc1ccc(cc1)OC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.33g/mol
Monoisotopic Mass:
238.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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