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92622-89-4 | Pentamethylphenylacetic acid ethyl ester
CAS No: 92622-89-4 Catalog No: AG01FC5G MDL No:
Product Description
Catalog Number:
AG01FC5G
Chemical Name:
Pentamethylphenylacetic acid ethyl ester
CAS Number:
92622-89-4
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
ethyl 2-(2,3,4,5,6-pentamethylphenyl)acetate
InChI:
InChI=1S/C15H22O2/c1-7-17-15(16)8-14-12(5)10(3)9(2)11(4)13(14)6/h7-8H2,1-6H3
InChI Key:
AKFFOLMCXCCYBQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1c(C)c(C)c(c(c1C)C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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