Name: Name:5-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoic acid
Brand: Angene
SKU: AG01BGQH
Rating: 90 (10 reviews)

5-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoic acid

CAS No.:

143617-90-7

Catalog Number:

AG01BGQH

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

Catalog Number:

AG01BGQH

Chemical Name:

5-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoic acid

CAS Number:

143617-90-7

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

MDL Number:

MFCD17170598

IUPAC Name:

2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

InChI:

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

InChI Key:

QCOBBPVHVBRAAF-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Nc1ccc(c(c1)C(=O)O)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:

2.4