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147593-90-6 | Acetic acid, 2-(3-formylphenoxy)-, 1,1-dimethylethyl ester
CAS No: 147593-90-6 Catalog No: AG001EZM MDL No:MFCD09192335
Product Description
Catalog Number:
AG001EZM
Chemical Name:
Acetic acid, 2-(3-formylphenoxy)-, 1,1-dimethylethyl ester
CAS Number:
147593-90-6
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD09192335
IUPAC Name:
tert-butyl 2-(3-formylphenoxy)acetate
InChI:
InChI=1S/C13H16O4/c1-13(2,3)17-12(15)9-16-11-6-4-5-10(7-11)8-14/h4-8H,9H2,1-3H3
InChI Key:
IOHGZBLANANFDS-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCC(=O)OC(C)(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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