Name: Name:3,3-dimethyl-5-(4-methylphenyl)-5-oxopentanoic acid
Brand: Angene
SKU: AG01A6SO
Rating: 90 (10 reviews)

3,3-dimethyl-5-(4-methylphenyl)-5-oxopentanoic acid

CAS No.:

92864-26-1

Catalog Number:

AG01A6SO

Molecular Formula:

C14H18O3

Molecular Weight:

234.2909

Catalog Number:

AG01A6SO

Chemical Name:

3,3-dimethyl-5-(4-methylphenyl)-5-oxopentanoic acid

CAS Number:

92864-26-1

Molecular Formula:

C14H18O3

Molecular Weight:

234.2909

MDL Number:

MFCD17409527

IUPAC Name:

3,3-dimethyl-5-(4-methylphenyl)-5-oxopentanoic acid

InChI:

InChI=1S/C14H18O3/c1-10-4-6-11(7-5-10)12(15)8-14(2,3)9-13(16)17/h4-7H,8-9H2,1-3H3,(H,16,17)

InChI Key:

SXQQAMZUOYVYAM-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)C)CC(CC(=O)O)(C)C

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.295g/mol

Monoisotopic Mass:

234.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6