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2496-76-6 | Benzoic acid, 4-hydroxy-, 2-(2-hydroxyethoxy)ethyl ester
CAS No: 2496-76-6 Catalog No: AG002Q0F MDL No:
Product Description
Catalog Number:
AG002Q0F
Chemical Name:
Benzoic acid, 4-hydroxy-, 2-(2-hydroxyethoxy)ethyl ester
CAS Number:
2496-76-6
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
IUPAC Name:
2-(2-hydroxyethoxy)ethyl 4-hydroxybenzoate
InChI:
InChI=1S/C11H14O5/c12-5-6-15-7-8-16-11(14)9-1-3-10(13)4-2-9/h1-4,12-13H,5-8H2
InChI Key:
QHRZQKAPDNEQRD-UHFFFAOYSA-N
SMILES:
OCCOCCOC(=O)c1ccc(cc1)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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