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3609-53-8 | Methyl 4-acetylbenzoate
CAS No: 3609-53-8 Catalog No: AG003576 MDL No:MFCD00216474
Product Description
Catalog Number:
AG003576
Chemical Name:
Methyl 4-acetylbenzoate
CAS Number:
3609-53-8
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00216474
IUPAC Name:
methyl 4-acetylbenzoate
InChI:
InChI=1S/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3
InChI Key:
QNTSFZXGLAHYLC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)C
UNII:
3S3D53J4NT
NSC Number:
49140
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones. | Nature chemistry 20090901 |
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