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191333-65-0 | Benzene, 1-(5,5-dimethyl-1,3-hexadiyn-1-yl)-4-methoxy-
CAS No: 191333-65-0 Catalog No: AG002F68 MDL No:
Product Description
Catalog Number:
AG002F68
Chemical Name:
Benzene, 1-(5,5-dimethyl-1,3-hexadiyn-1-yl)-4-methoxy-
CAS Number:
191333-65-0
Molecular Formula:
C15H16O
Molecular Weight:
212.2869
IUPAC Name:
1-(5,5-dimethylhexa-1,3-diynyl)-4-methoxybenzene
InChI:
InChI=1S/C15H16O/c1-15(2,3)12-6-5-7-13-8-10-14(16-4)11-9-13/h8-11H,1-4H3
InChI Key:
WPBOBAQZEDKWTC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#CC#CC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.292g/mol
Monoisotopic Mass:
212.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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