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1443328-00-4 | Ethyl (3,5-dimethyl-4-methoxybenzoyl)acetate
CAS No: 1443328-00-4 Catalog No: AG01FAPA MDL No:
Product Description
Catalog Number:
AG01FAPA
Chemical Name:
Ethyl (3,5-dimethyl-4-methoxybenzoyl)acetate
CAS Number:
1443328-00-4
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
ethyl 3-(4-methoxy-3,5-dimethylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C14H18O4/c1-5-18-13(16)8-12(15)11-6-9(2)14(17-4)10(3)7-11/h6-7H,5,8H2,1-4H3
InChI Key:
AOZOFWWKAAQEHH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cc(C)c(c(c1)C)OC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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