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70044-36-9 | Ethyl 2-(4-methylphenoxy)propanoate
CAS No: 70044-36-9 Catalog No: AG01FE0J MDL No:MFCD16040518
Product Description
Catalog Number:
AG01FE0J
Chemical Name:
Ethyl 2-(4-methylphenoxy)propanoate
CAS Number:
70044-36-9
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD16040518
IUPAC Name:
ethyl 2-(4-methylphenoxy)propanoate
InChI:
InChI=1S/C12H16O3/c1-4-14-12(13)10(3)15-11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChI Key:
SCRNPUHHVKDPRZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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