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18996-04-8 | Propanoic acid, 2-(2,5-dimethylphenoxy)-
CAS No: 18996-04-8 Catalog No: AG002E7I MDL No:MFCD03419316
Product Description
Catalog Number:
AG002E7I
Chemical Name:
Propanoic acid, 2-(2,5-dimethylphenoxy)-
CAS Number:
18996-04-8
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD03419316
IUPAC Name:
2-(2,5-dimethylphenoxy)propanoic acid
InChI:
InChI=1S/C11H14O3/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)
InChI Key:
MJJBTCMCULRVQR-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1cc(C)ccc1C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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