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88268-68-2 | Benzoic acid, 4-(2-propoxyethoxy)-, 4-methylphenyl ester
CAS No: 88268-68-2 Catalog No: AG004AAA MDL No:
Product Description
Catalog Number:
AG004AAA
Chemical Name:
Benzoic acid, 4-(2-propoxyethoxy)-, 4-methylphenyl ester
CAS Number:
88268-68-2
Molecular Formula:
C19H22O4
Molecular Weight:
314.3756
IUPAC Name:
(4-methylphenyl) 4-(2-propoxyethoxy)benzoate
InChI:
InChI=1S/C19H22O4/c1-3-12-21-13-14-22-17-10-6-16(7-11-17)19(20)23-18-8-4-15(2)5-9-18/h4-11H,3,12-14H2,1-2H3
InChI Key:
NTEPAKTUGAJRAO-UHFFFAOYSA-N
SMILES:
CCCOCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C
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:
4.4
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