Name: Name:Benzoic acid, 4-[2-(1,1-dimethylethoxy)-2-oxoethoxy]-
Brand: Angene
SKU: AG001SJA
Rating: 90 (10 reviews)

Benzoic acid, 4-[2-(1,1-dimethylethoxy)-2-oxoethoxy]-

CAS No.:

161948-80-7

Catalog Number:

AG001SJA

Molecular Formula:

C13H16O5

Molecular Weight:

252.2631

Catalog Number:

AG001SJA

Chemical Name:

Benzoic acid, 4-[2-(1,1-dimethylethoxy)-2-oxoethoxy]-

CAS Number:

161948-80-7

Molecular Formula:

C13H16O5

Molecular Weight:

252.2631

MDL Number:

MFCD29991567

IUPAC Name:

4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzoic acid

InChI:

InChI=1S/C13H16O5/c1-13(2,3)18-11(14)8-17-10-6-4-9(5-7-10)12(15)16/h4-7H,8H2,1-3H3,(H,15,16)

InChI Key:

YOHVWVYGCZAYHU-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)COc1ccc(cc1)C(=O)O

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.266g/mol

Monoisotopic Mass:

252.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3