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142207-58-7 | 2-Butynedioic acid, 1,4-bis(4-methylphenyl) ester
CAS No: 142207-58-7 Catalog No: AG001HYX MDL No:
Product Description
Catalog Number:
AG001HYX
Chemical Name:
2-Butynedioic acid, 1,4-bis(4-methylphenyl) ester
CAS Number:
142207-58-7
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
bis(4-methylphenyl) but-2-ynedioate
InChI:
InChI=1S/C18H14O4/c1-13-3-7-15(8-4-13)21-17(19)11-12-18(20)22-16-9-5-14(2)6-10-16/h3-10H,1-2H3
InChI Key:
HJGUPAHCZUQTIV-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)C)C#CC(=O)Oc1ccc(cc1)C
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:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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