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26330-15-4 | 2,4-Pentanedione, 3-[1-(acetyloxy)ethylidene]-
CAS No: 26330-15-4 Catalog No: AG002SRX MDL No:
Product Description
Catalog Number:
AG002SRX
Chemical Name:
2,4-Pentanedione, 3-[1-(acetyloxy)ethylidene]-
CAS Number:
26330-15-4
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
(3-acetyl-4-oxopent-2-en-2-yl) acetate
InChI:
InChI=1S/C9H12O4/c1-5(10)9(6(2)11)7(3)13-8(4)12/h1-4H3
InChI Key:
VQQYGANKAUGPQS-UHFFFAOYSA-N
SMILES:
CC(=O)OC(=C(C(=O)C)C(=O)C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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