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1443311-56-5 | Ethyl 3-(2-formyl-6-methoxyphenoxy)propanoate
CAS No: 1443311-56-5 Catalog No: AG01FADN MDL No:
Product Description
Catalog Number:
AG01FADN
Chemical Name:
Ethyl 3-(2-formyl-6-methoxyphenoxy)propanoate
CAS Number:
1443311-56-5
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
ethyl 3-(2-formyl-6-methoxyphenoxy)propanoate
InChI:
InChI=1S/C13H16O5/c1-3-17-12(15)7-8-18-13-10(9-14)5-4-6-11(13)16-2/h4-6,9H,3,7-8H2,1-2H3
InChI Key:
KFQPRZWLQJBXGZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1c(OC)cccc1C=O
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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