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1260862-76-7 | Ethyl (4-methoxy-2-methylbenzoyl)acetate
CAS No: 1260862-76-7 Catalog No: AG01FBXM MDL No:
Product Description
Catalog Number:
AG01FBXM
Chemical Name:
Ethyl (4-methoxy-2-methylbenzoyl)acetate
CAS Number:
1260862-76-7
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
ethyl 3-(4-methoxy-2-methylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C13H16O4/c1-4-17-13(15)8-12(14)11-6-5-10(16-3)7-9(11)2/h5-7H,4,8H2,1-3H3
InChI Key:
QXTOEKOVRLHXRP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1C)OC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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