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1260859-10-6 | Ethyl (4-n-butylbenzoyl)acetate
CAS No: 1260859-10-6 Catalog No: AG01FEUU MDL No:
Product Description
Catalog Number:
AG01FEUU
Chemical Name:
Ethyl (4-n-butylbenzoyl)acetate
CAS Number:
1260859-10-6
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
ethyl 3-(4-butylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C15H20O3/c1-3-5-6-12-7-9-13(10-8-12)14(16)11-15(17)18-4-2/h7-10H,3-6,11H2,1-2H3
InChI Key:
MUWDHLCSXAAXFT-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)CC(=O)OCC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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