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1099614-15-9 | Ethyl 3-(4-formylphenoxy)propanoate
CAS No: 1099614-15-9 Catalog No: AG01FDPU MDL No:
Product Description
Catalog Number:
AG01FDPU
Chemical Name:
Ethyl 3-(4-formylphenoxy)propanoate
CAS Number:
1099614-15-9
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
ethyl 3-(4-formylphenoxy)propanoate
InChI:
InChI=1S/C12H14O4/c1-2-15-12(14)7-8-16-11-5-3-10(9-13)4-6-11/h3-6,9H,2,7-8H2,1H3
InChI Key:
DFDRFDAOZKPWMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1ccc(cc1)C=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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