Name: Name:3-[5-methyl-2-(propan-2-yl)phenoxy]propanoic acid
Brand: Angene
SKU: AG01A1NS
Rating: 90 (10 reviews)

3-[5-methyl-2-(propan-2-yl)phenoxy]propanoic acid

CAS No.:

97395-13-6

Catalog Number:

AG01A1NS

Molecular Formula:

C13H18O3

Molecular Weight:

222.2802

Catalog Number:

AG01A1NS

Chemical Name:

3-[5-methyl-2-(propan-2-yl)phenoxy]propanoic acid

CAS Number:

97395-13-6

Molecular Formula:

C13H18O3

Molecular Weight:

222.2802

MDL Number:

MFCD09045505

IUPAC Name:

3-(5-methyl-2-propan-2-ylphenoxy)propanoic acid

InChI:

InChI=1S/C13H18O3/c1-9(2)11-5-4-10(3)8-12(11)16-7-6-13(14)15/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)

InChI Key:

CHIVRVVKOCCNME-UHFFFAOYSA-N

SMILES:

OC(=O)CCOc1cc(C)ccc1C(C)C

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.284g/mol

Monoisotopic Mass:

222.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2