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Home > Encyclopedia > 1-(1-Ethynyl-2-buten-1-yl) 1,2-benzenedicarboxylate

1-(1-Ethynyl-2-buten-1-yl) 1,2-benzenedicarboxylate

1-(1-Ethynyl-2-buten-1-yl) 1,2-benzenedicarboxylate structure

1-(1-Ethynyl-2-buten-1-yl) 1,2-benzenedicarboxylate 

structure
  • CAS No:

    175205-32-0

  • Formula:

    C14H12O4

  • Chemical Name:

    1-(1-Ethynyl-2-buten-1-yl) 1,2-benzenedicarboxylate

  • Synonyms:

    1,2-Benzenedicarboxylic acid,1-(1-ethynyl-2-buten-1-yl) ester;1,2-Benzenedicarboxylic acid,mono(1-ethynyl-2-butenyl) ester;1-(1-Ethynyl-2-buten-1-yl) 1,2-benzenedicarboxylate;2-[[(1-Eth-1-ynylbut-2-enyl)oxy]carbonyl]benzoic acid

1-(1-Ethynyl-2-buten-1-yl) 1,2-benzenedicarboxylate Basic Attributes

244.24300

244.24

DTXSID00372279

2918990090

Characteristics

63.60000

2.11950

1.22g/cm3

423.6ºC at 760mmHg

161.1ºC

1.573

6.22E-08mmHg at 25°C

Computed Properties

Molecular Weight:244.24
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:244.07355886
Monoisotopic Mass:244.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:18
Complexity:388
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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