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88521-62-4 | Acetic acid, (2-acetyl-4-methylphenoxy)-
CAS No: 88521-62-4 Catalog No: AG0048J6 MDL No:
Product Description
Catalog Number:
AG0048J6
Chemical Name:
Acetic acid, (2-acetyl-4-methylphenoxy)-
CAS Number:
88521-62-4
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
2-(2-acetyl-4-methylphenoxy)acetic acid
InChI:
InChI=1S/C11H12O4/c1-7-3-4-10(15-6-11(13)14)9(5-7)8(2)12/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:
VVRNXJHFSXDXDU-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1C(=O)C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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