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81422-01-7 | Acetic acid,2-(3,4-dimethylphenoxy)-, 2-hydroxyethyl ester
CAS No: 81422-01-7 Catalog No: AG005KKH MDL No:
Product Description
Catalog Number:
AG005KKH
Chemical Name:
Acetic acid,2-(3,4-dimethylphenoxy)-, 2-hydroxyethyl ester
CAS Number:
81422-01-7
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
2-hydroxyethyl 2-(3,4-dimethylphenoxy)acetate
InChI:
InChI=1S/C12H16O4/c1-9-3-4-11(7-10(9)2)16-8-12(14)15-6-5-13/h3-4,7,13H,5-6,8H2,1-2H3
InChI Key:
FMTPLFOLRWJUOC-UHFFFAOYSA-N
SMILES:
OCCOC(=O)COc1ccc(c(c1)C)C
EC Number:
279-759-7
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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