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1099679-95-4 | Ethyl 3-(3-formylphenoxy)propanoate
CAS No: 1099679-95-4 Catalog No: AG01FDPX MDL No:
Product Description
Catalog Number:
AG01FDPX
Chemical Name:
Ethyl 3-(3-formylphenoxy)propanoate
CAS Number:
1099679-95-4
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
ethyl 3-(3-formylphenoxy)propanoate
InChI:
InChI=1S/C12H14O4/c1-2-15-12(14)6-7-16-11-5-3-4-10(8-11)9-13/h3-5,8-9H,2,6-7H2,1H3
InChI Key:
LDGOXMHMTXWWCB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1cccc(c1)C=O
Properties
Complexity:
227
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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