Name: Name:3-methyl-4-(3-methylbutanamido)benzoic acid
Brand: Angene
SKU: AG019RRM
Rating: 90 (10 reviews)

3-methyl-4-(3-methylbutanamido)benzoic acid

CAS No.:

926267-07-4

Catalog Number:

AG019RRM

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

Catalog Number:

AG019RRM

Chemical Name:

3-methyl-4-(3-methylbutanamido)benzoic acid

CAS Number:

926267-07-4

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

MDL Number:

MFCD09048327

IUPAC Name:

3-methyl-4-(3-methylbutanoylamino)benzoic acid

InChI:

InChI=1S/C13H17NO3/c1-8(2)6-12(15)14-11-5-4-10(13(16)17)7-9(11)3/h4-5,7-8H,6H2,1-3H3,(H,14,15)(H,16,17)

InChI Key:

PMMPHKBLAPVUBN-UHFFFAOYSA-N

SMILES:

CC(CC(=O)Nc1ccc(cc1C)C(=O)O)C

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.283g/mol

Monoisotopic Mass:

235.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1