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19728-20-2 | Acetic acid, 2-[2-methyl-5-(1-methylethyl)phenoxy]-
CAS No: 19728-20-2 Catalog No: AG002APQ MDL No:MFCD01365737
Product Description
Catalog Number:
AG002APQ
Chemical Name:
Acetic acid, 2-[2-methyl-5-(1-methylethyl)phenoxy]-
CAS Number:
19728-20-2
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD01365737
IUPAC Name:
2-(2-methyl-5-propan-2-ylphenoxy)acetic acid
InChI:
InChI=1S/C12H16O3/c1-8(2)10-5-4-9(3)11(6-10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChI Key:
OWRFHSFWUCJFQE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)OCC(=O)O)C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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