Name: Name:3-((3-ethynylphenyl)amino)-3-oxopropanoic acid
Brand: Angene
SKU: AG01DYLQ
Rating: 90 (10 reviews)

3-((3-ethynylphenyl)amino)-3-oxopropanoic acid

CAS No.:

1250692-51-3

Catalog Number:

AG01DYLQ

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

Catalog Number:

AG01DYLQ

Chemical Name:

3-((3-ethynylphenyl)amino)-3-oxopropanoic acid

CAS Number:

1250692-51-3

Molecular Formula:

C11H9NO3

Molecular Weight:

203.1941

MDL Number:

MFCD16692580

IUPAC Name:

3-(3-ethynylanilino)-3-oxopropanoic acid

InChI:

InChI=1S/C11H9NO3/c1-2-8-4-3-5-9(6-8)12-10(13)7-11(14)15/h1,3-6H,7H2,(H,12,13)(H,14,15)

InChI Key:

BNULHEBXFQGNKP-UHFFFAOYSA-N

SMILES:

C#Cc1cccc(c1)NC(=O)CC(=O)O

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.197g/mol

Monoisotopic Mass:

203.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6