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1160063-52-4 | Benzene, 1-ethynyl-2-[(4-methoxyphenoxy)methyl]-
CAS No: 1160063-52-4 Catalog No: AG000BCU MDL No:
Product Description
Catalog Number:
AG000BCU
Chemical Name:
Benzene, 1-ethynyl-2-[(4-methoxyphenoxy)methyl]-
CAS Number:
1160063-52-4
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
1-ethynyl-2-[(4-methoxyphenoxy)methyl]benzene
InChI:
InChI=1S/C16H14O2/c1-3-13-6-4-5-7-14(13)12-18-16-10-8-15(17-2)9-11-16/h1,4-11H,12H2,2H3
InChI Key:
XSGRXMSGTKKVKQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCc1ccccc1C#C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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