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16839-92-2 | Acetic acid, 2-methoxy-, phenyl ester
CAS No: 16839-92-2 Catalog No: AG001Y1D MDL No:
Product Description
Catalog Number:
AG001Y1D
Chemical Name:
Acetic acid, 2-methoxy-, phenyl ester
CAS Number:
16839-92-2
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
phenyl 2-methoxyacetate
InChI:
InChI=1S/C9H10O3/c1-11-7-9(10)12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
RRGKOFFIQZTPRH-UHFFFAOYSA-N
SMILES:
COCC(=O)Oc1ccccc1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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