Name: Name:2-{[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid
Brand: Angene
SKU: AG019OCE
Rating: 90 (10 reviews)

2-{[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid

CAS No.:

854357-41-8

Catalog Number:

AG019OCE

Molecular Formula:

C12H11NO3S

Molecular Weight:

249.2856

Catalog Number:

AG019OCE

Chemical Name:

2-{[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}benzoic acid

CAS Number:

854357-41-8

Molecular Formula:

C12H11NO3S

Molecular Weight:

249.2856

MDL Number:

MFCD06655907

IUPAC Name:

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoic acid

InChI:

InChI=1S/C12H11NO3S/c1-8-6-9(13-16-8)7-17-11-5-3-2-4-10(11)12(14)15/h2-6H,7H2,1H3,(H,14,15)

InChI Key:

ABHVAMDKSLWIAS-UHFFFAOYSA-N

SMILES:

Cc1onc(c1)CSc1ccccc1C(=O)O

Complexity:

275

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:

2.3