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88268-66-0 | Benzoic acid, 4-(2-ethoxyethoxy)-, 4-ethylphenyl ester
CAS No: 88268-66-0 Catalog No: AG0049YO MDL No:
Product Description
Catalog Number:
AG0049YO
Chemical Name:
Benzoic acid, 4-(2-ethoxyethoxy)-, 4-ethylphenyl ester
CAS Number:
88268-66-0
Molecular Formula:
C19H22O4
Molecular Weight:
314.3756
IUPAC Name:
(4-ethylphenyl) 4-(2-ethoxyethoxy)benzoate
InChI:
InChI=1S/C19H22O4/c1-3-15-5-9-18(10-6-15)23-19(20)16-7-11-17(12-8-16)22-14-13-21-4-2/h5-12H,3-4,13-14H2,1-2H3
InChI Key:
OPRRAZOADXMNJH-UHFFFAOYSA-N
SMILES:
CCOCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)CC
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.381g/mol
Monoisotopic Mass:
314.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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