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76322-07-1 | ethyl(2-formyl-4-methoxyphenoxy)acetate
CAS No: 76322-07-1 Catalog No: AG005E6J MDL No:
Product Description
Catalog Number:
AG005E6J
Chemical Name:
ethyl(2-formyl-4-methoxyphenoxy)acetate
CAS Number:
76322-07-1
Molecular Formula:
C12H13O5-
Molecular Weight:
237.2286
IUPAC Name:
ethyl 2-(2-formyl-4-methoxyphenoxy)acetate
InChI:
InChI=1S/C12H14O5/c1-3-16-12(14)8-17-11-5-4-10(15-2)6-9(11)7-13/h4-7H,3,8H2,1-2H3
InChI Key:
RHMNGOYVUSIANQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)[O-])Oc1ccc(cc1C=O)OC
NSC Number:
149947
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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