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115720-12-2 | Benzoic acid, 4-[2-(4-ethylphenoxy)ethoxy]-2-hydroxy-
CAS No: 115720-12-2 Catalog No: AG000GSR MDL No:
Product Description
Catalog Number:
AG000GSR
Chemical Name:
Benzoic acid, 4-[2-(4-ethylphenoxy)ethoxy]-2-hydroxy-
CAS Number:
115720-12-2
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
IUPAC Name:
4-[2-(4-ethylphenoxy)ethoxy]-2-hydroxybenzoic acid
InChI:
InChI=1S/C17H18O5/c1-2-12-3-5-13(6-4-12)21-9-10-22-14-7-8-15(17(19)20)16(18)11-14/h3-8,11,18H,2,9-10H2,1H3,(H,19,20)
InChI Key:
YSEWQOJWGCLOEA-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)OCCOc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.326g/mol
Monoisotopic Mass:
302.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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