Name: Name:2-{[(2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019UXC
Rating: 90 (10 reviews)

2-{[(2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}acetic acid

CAS No.:

75595-27-6

Catalog Number:

AG019UXC

Molecular Formula:

C12H11NO3S

Molecular Weight:

249.2856

Catalog Number:

AG019UXC

Chemical Name:

2-{[(2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}acetic acid

CAS Number:

75595-27-6

Molecular Formula:

C12H11NO3S

Molecular Weight:

249.2856

MDL Number:

MFCD08443443

IUPAC Name:

2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetic acid

InChI:

InChI=1S/C12H11NO3S/c14-11(15)8-17-7-10-6-16-12(13-10)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15)

InChI Key:

FBQCDKHUMNCMBT-UHFFFAOYSA-N

SMILES:

OC(=O)CSCc1coc(n1)c1ccccc1

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.284g/mol

Monoisotopic Mass:

249.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1