Name: Name:2-HYDROXY-5-PHENYLETHYNYL-BENZOIC ACID
Brand: Angene
SKU: AG00CYQA
Rating: 90 (10 reviews)

2-HYDROXY-5-PHENYLETHYNYL-BENZOIC ACID

CAS No.:

32192-74-8

Catalog Number:

AG00CYQA

Molecular Formula:

C15H10O3

Molecular Weight:

238.2381

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Product Description

Catalog Number:

AG00CYQA

Chemical Name:

2-HYDROXY-5-PHENYLETHYNYL-BENZOIC ACID

CAS Number:

32192-74-8

Molecular Formula:

C15H10O3

Molecular Weight:

238.2381

MDL Number:

MFCD04039086

IUPAC Name:

2-hydroxy-5-(2-phenylethynyl)benzoic acid

InChI:

InChI=1S/C15H10O3/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H,(H,17,18)

InChI Key:

KMDHRTJLNUICNY-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(C#Cc2ccccc2)ccc1O

Properties

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.242g/mol

Monoisotopic Mass:

238.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Inhibition of xc⁻ transporter-mediated cystine uptake by sulfasalazine analogs.	Bioorganic & medicinal chemistry letters 20111015