Name: Name:3-[N-(prop-2-yn-1-yl)acetamido]benzoic acid
Brand: Angene
SKU: AG019LFK
Rating: 90 (10 reviews)

3-[N-(prop-2-yn-1-yl)acetamido]benzoic acid

CAS No.:

1000932-65-9

Catalog Number:

AG019LFK

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

Catalog Number:

AG019LFK

Chemical Name:

3-[N-(prop-2-yn-1-yl)acetamido]benzoic acid

CAS Number:

1000932-65-9

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

MDL Number:

MFCD09971392

IUPAC Name:

3-[acetyl(prop-2-ynyl)amino]benzoic acid

InChI:

InChI=1S/C12H11NO3/c1-3-7-13(9(2)14)11-6-4-5-10(8-11)12(15)16/h1,4-6,8H,7H2,2H3,(H,15,16)

InChI Key:

HKNFADKILNIINJ-UHFFFAOYSA-N

SMILES:

C#CCN(c1cccc(c1)C(=O)O)C(=O)C

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.224g/mol

Monoisotopic Mass:

217.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9