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89097-41-6 | Acetic acid, [(5-chloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS No: 89097-41-6 Catalog No: AG003ZYP MDL No:
Product Description
Catalog Number:
AG003ZYP
Chemical Name:
Acetic acid, [(5-chloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS Number:
89097-41-6
Molecular Formula:
C11H11ClO5
Molecular Weight:
258.6550
IUPAC Name:
2-[(5-chloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetic acid
InChI:
InChI=1S/C11H11ClO5/c1-11(2)16-7-4-3-6(12)9(10(7)17-11)15-5-8(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChI Key:
SBNLFLLUUNIRIQ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1c(Cl)ccc2c1OC(O2)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.654g/mol
Monoisotopic Mass:
258.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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