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16882-08-9 | Benzoic acid, 4,4'-(1,2-ethynediyl)bis-, 1,1'-dimethyl ester
CAS No: 16882-08-9 Catalog No: AG001YBN MDL No:
Product Description
Catalog Number:
AG001YBN
Chemical Name:
Benzoic acid, 4,4'-(1,2-ethynediyl)bis-, 1,1'-dimethyl ester
CAS Number:
16882-08-9
IUPAC Name:
methyl 4-[2-(4-methoxycarbonylphenyl)ethynyl]benzoate
InChI:
InChI=1S/C18H14O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,1-2H3
InChI Key:
HVBNYTAAHLESOR-UHFFFAOYSA-N
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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