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80120-38-3 | ETHYL 2,3,5,6-TETRAMETHYLBENZOYLFORMATE
CAS No: 80120-38-3 Catalog No: AG0054MX MDL No:
Product Description
Catalog Number:
AG0054MX
Chemical Name:
ETHYL 2,3,5,6-TETRAMETHYLBENZOYLFORMATE
CAS Number:
80120-38-3
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
ethyl 2-oxo-2-(2,3,5,6-tetramethylphenyl)acetate
InChI:
InChI=1S/C14H18O3/c1-6-17-14(16)13(15)12-10(4)8(2)7-9(3)11(12)5/h7H,6H2,1-5H3
InChI Key:
MRJZGHITZJHRKD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1c(C)c(C)cc(c1C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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