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13335-71-2 | Acetic acid, 2-(2,6-dimethylphenoxy)-
CAS No: 13335-71-2 Catalog No: AG0014PY MDL No:MFCD00156912
Product Description
Catalog Number:
AG0014PY
Chemical Name:
Acetic acid, 2-(2,6-dimethylphenoxy)-
CAS Number:
13335-71-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00156912
IUPAC Name:
2-(2,6-dimethylphenoxy)acetic acid
InChI:
InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
MLBCURLNKYKBEQ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1c(C)cccc1C
UNII:
8RVEL9W5CF
NSC Number:
408599
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/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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