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131558-77-5 | Benzene, 1-(1-hexyn-1-yl)-4-methoxy-
CAS No: 131558-77-5 Catalog No: AG000ZF9 MDL No:
Product Description
Catalog Number:
AG000ZF9
Chemical Name:
Benzene, 1-(1-hexyn-1-yl)-4-methoxy-
CAS Number:
131558-77-5
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
1-hex-1-ynyl-4-methoxybenzene
InChI:
InChI=1S/C13H16O/c1-3-4-5-6-7-12-8-10-13(14-2)11-9-12/h8-11H,3-5H2,1-2H3
InChI Key:
IDROSGKNLKXTDT-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccc(cc1)OC
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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