Name: Name:Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-
Brand: Angene
SKU: AG002MH3
Rating: 90 (10 reviews)

Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-

CAS No.:

231958-04-6

Catalog Number:

AG002MH3

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

Catalog Number:

AG002MH3

Chemical Name:

Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-

CAS Number:

231958-04-6

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

MDL Number:

MFCD01861378

IUPAC Name:

4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

InChI:

InChI=1S/C13H17NO4/c1-8-5-6-9(11(15)16)7-10(8)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)

InChI Key:

ITZUJURBEZPZOD-UHFFFAOYSA-N

SMILES:

O=C(Nc1cc(ccc1C)C(=O)O)OC(C)(C)C

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.282g/mol

Monoisotopic Mass:

251.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1