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89238-09-5 | 2-Propenoic acid, 3-oxo-, methyl ester
CAS No: 89238-09-5 Catalog No: AG0043AA MDL No:
Product Description
Catalog Number:
AG0043AA
Chemical Name:
2-Propenoic acid, 3-oxo-, methyl ester
CAS Number:
89238-09-5
Molecular Formula:
C4H4O3
Molecular Weight:
100.0728
IUPAC Name:
methyl 3-oxoprop-2-enoate
InChI:
InChI=1S/C4H4O3/c1-7-4(6)2-3-5/h2H,1H3
InChI Key:
KDFBRSZRHIGTMS-UHFFFAOYSA-N
SMILES:
COC(=O)C=C=O
Properties
Complexity:
110
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.016g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.073g/mol
Monoisotopic Mass:
100.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Multi-catalysis cascade reactions based on the methoxycarbonylketene platform: diversity-oriented synthesis of functionalized non-symmetrical malonates for agrochemicals and pharmaceuticals. | Organic & biomolecular chemistry 20090521 |
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