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820999-55-1 | Benzoic acid, 4-ethoxy-, 4-formyl-3-hydroxyphenyl ester
CAS No: 820999-55-1 Catalog No: AG004WIW MDL No:
Product Description
Catalog Number:
AG004WIW
Chemical Name:
Benzoic acid, 4-ethoxy-, 4-formyl-3-hydroxyphenyl ester
CAS Number:
820999-55-1
Molecular Formula:
C16H14O5
Molecular Weight:
286.2794
IUPAC Name:
(4-formyl-3-hydroxyphenyl) 4-ethoxybenzoate
InChI:
InChI=1S/C16H14O5/c1-2-20-13-6-3-11(4-7-13)16(19)21-14-8-5-12(10-17)15(18)9-14/h3-10,18H,2H2,1H3
InChI Key:
AOXMWEXZEUBMLZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)Oc1ccc(c(c1)O)C=O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.283g/mol
Monoisotopic Mass:
286.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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