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99952-37-1 | Benzoic acid, 2,4-dihydroxy-, 2-phenoxyethyl ester
CAS No: 99952-37-1 Catalog No: AG003VU8 MDL No:
Product Description
Catalog Number:
AG003VU8
Chemical Name:
Benzoic acid, 2,4-dihydroxy-, 2-phenoxyethyl ester
CAS Number:
99952-37-1
Molecular Formula:
C15H14O5
Molecular Weight:
274.2687
IUPAC Name:
2-phenoxyethyl 2,4-dihydroxybenzoate
InChI:
InChI=1S/C15H14O5/c16-11-6-7-13(14(17)10-11)15(18)20-9-8-19-12-4-2-1-3-5-12/h1-7,10,16-17H,8-9H2
InChI Key:
POTXZUQLERIXIW-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)OCCOc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.272g/mol
Monoisotopic Mass:
274.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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