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188754-42-9 | Benzoic acid, 2-ethoxy-, 1,1-dimethylethyl ester
CAS No: 188754-42-9 Catalog No: AG002H91 MDL No:
Product Description
Catalog Number:
AG002H91
Chemical Name:
Benzoic acid, 2-ethoxy-, 1,1-dimethylethyl ester
CAS Number:
188754-42-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
tert-butyl 2-ethoxybenzoate
InChI:
InChI=1S/C13H18O3/c1-5-15-11-9-7-6-8-10(11)12(14)16-13(2,3)4/h6-9H,5H2,1-4H3
InChI Key:
RJGVVNFVSJQRPD-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1C(=O)OC(C)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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