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73819-76-8 | 5-Ethynylisobenzofuran-1,3-dione
CAS No: 73819-76-8 Catalog No: AG003MQ9 MDL No:MFCD06200801
Product Description
Catalog Number:
AG003MQ9
Chemical Name:
5-Ethynylisobenzofuran-1,3-dione
CAS Number:
73819-76-8
Molecular Formula:
C10H4O3
Molecular Weight:
172.1370
MDL Number:
MFCD06200801
IUPAC Name:
5-ethynyl-2-benzofuran-1,3-dione
InChI:
InChI=1S/C10H4O3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h1,3-5H
InChI Key:
DXJLXGJIZZNCBO-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)C(=O)OC2=O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.139g/mol
Monoisotopic Mass:
172.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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