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17413-73-9 | Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-
CAS No: 17413-73-9 Catalog No: AG001ZHH MDL No:MFCD01695660
Product Description
Catalog Number:
AG001ZHH
Chemical Name:
Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-
CAS Number:
17413-73-9
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
MDL Number:
MFCD01695660
IUPAC Name:
2-(3-chlorophenoxy)-2-methylpropanoic acid
InChI:
InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-4-7(11)6-8/h3-6H,1-2H3,(H,12,13)
InChI Key:
PZBIVIXQLIVFHJ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)OC(C(=O)O)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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