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1443312-68-2 | Ethyl 3-(3-formyl-6-methoxyphenoxy)propanoate
CAS No: 1443312-68-2 Catalog No: AG01FADS MDL No:
Product Description
Catalog Number:
AG01FADS
Chemical Name:
Ethyl 3-(3-formyl-6-methoxyphenoxy)propanoate
CAS Number:
1443312-68-2
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
ethyl 3-(5-formyl-2-methoxyphenoxy)propanoate
InChI:
InChI=1S/C13H16O5/c1-3-17-13(15)6-7-18-12-8-10(9-14)4-5-11(12)16-2/h4-5,8-9H,3,6-7H2,1-2H3
InChI Key:
XFXZIYSGCHIXEO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1cc(C=O)ccc1OC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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