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14447-07-5 | 2-Butynedioic acid, 1,4-di-2-propen-1-yl ester
CAS No: 14447-07-5 Catalog No: AG001JM7 MDL No:
Product Description
Catalog Number:
AG001JM7
Chemical Name:
2-Butynedioic acid, 1,4-di-2-propen-1-yl ester
CAS Number:
14447-07-5
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
bis(prop-2-enyl) but-2-ynedioate
InChI:
InChI=1S/C10H10O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-4H,1-2,7-8H2
InChI Key:
UZKKDEAYCFAVIV-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C#CC(=O)OCC=C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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