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88268-62-6 | Benzoic acid, 4-(2-ethoxyethoxy)-, 4-methylphenyl ester
CAS No: 88268-62-6 Catalog No: AG004AAB MDL No:
Product Description
Catalog Number:
AG004AAB
Chemical Name:
Benzoic acid, 4-(2-ethoxyethoxy)-, 4-methylphenyl ester
CAS Number:
88268-62-6
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
IUPAC Name:
(4-methylphenyl) 4-(2-ethoxyethoxy)benzoate
InChI:
InChI=1S/C18H20O4/c1-3-20-12-13-21-16-10-6-15(7-11-16)18(19)22-17-8-4-14(2)5-9-17/h4-11H,3,12-13H2,1-2H3
InChI Key:
QTBOIGYDGHWZLI-UHFFFAOYSA-N
SMILES:
CCOCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.354g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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