Name: Name:4,5-dimethoxy-2-(prop-2-ynamido)benzoic acid
Brand: Angene
SKU: AG01C3BC
Rating: 90 (10 reviews)

4,5-dimethoxy-2-(prop-2-ynamido)benzoic acid

CAS No.:

1017038-09-3

Catalog Number:

AG01C3BC

Molecular Formula:

C12H11NO5

Molecular Weight:

249.2194

Catalog Number:

AG01C3BC

Chemical Name:

4,5-dimethoxy-2-(prop-2-ynamido)benzoic acid

CAS Number:

1017038-09-3

Molecular Formula:

C12H11NO5

Molecular Weight:

249.2194

MDL Number:

MFCD09950374

IUPAC Name:

4,5-dimethoxy-2-(prop-2-ynoylamino)benzoic acid

InChI:

InChI=1S/C12H11NO5/c1-4-11(14)13-8-6-10(18-3)9(17-2)5-7(8)12(15)16/h1,5-6H,2-3H3,(H,13,14)(H,15,16)

InChI Key:

NIEDTPAPBKLNRS-UHFFFAOYSA-N

SMILES:

C#CC(=O)Nc1cc(OC)c(cc1C(=O)O)OC

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.222g/mol

Monoisotopic Mass:

249.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6