Free Chemical Databases
-
[Synonyms]
5-Methoxy-m-tolylacetic acid
BRN 2092235
ACETIC ACID, 5-METHOXY-m-TOLYL-
LS-12448
51028-96-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 180.20048 [g/mol] Molecular Formula C10H12O3 XLogP 1.8 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 3 Exact Mass 180.078644 MonoIsotopic Mass 180.078644 Topological Polar Surface Area 46.5 Heavy Atom Count 13 Formal Charge 0 Complexity 179 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(3-methoxy-5-methylphenyl)acetic acid
Canonical SMILES: CC1=CC(=CC(=C1)OC)CC(=O)O
InChI: InChI=1/C10H12O3/c1-7-3-8(6-10(11)12)5-9(4-7)13-2/h3-5H,6H2,1-2H3,(H,11,
12)/f/h11H
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