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777-57-1 | 2-(3,5-DIMETHYLPHENOXY)PROPANOIC ACID
CAS No: 777-57-1 Catalog No: AG005G1I MDL No:MFCD03422220
Product Description
Catalog Number:
AG005G1I
Chemical Name:
2-(3,5-DIMETHYLPHENOXY)PROPANOIC ACID
CAS Number:
777-57-1
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD03422220
IUPAC Name:
2-(3,5-dimethylphenoxy)propanoic acid
InChI:
InChI=1S/C11H14O3/c1-7-4-8(2)6-10(5-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)
InChI Key:
HABNTEYLRKTXHN-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)Oc1cc(C)cc(c1)C
Properties
Complexity:
193
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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