Name: Name:2-[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
Brand: Angene
SKU: AG01A9B7
Rating: 90 (10 reviews)

2-[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid

CAS No.:

1097005-91-8

Catalog Number:

AG01A9B7

Molecular Formula:

C12H9NO4S

Molecular Weight:

263.2692

Catalog Number:

AG01A9B7

Chemical Name:

2-[2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid

CAS Number:

1097005-91-8

Molecular Formula:

C12H9NO4S

Molecular Weight:

263.2692

MDL Number:

MFCD11540611

IUPAC Name:

2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid

InChI:

InChI=1S/C12H9NO4S/c14-11(15)4-8-5-18-12(13-8)7-1-2-9-10(3-7)17-6-16-9/h1-3,5H,4,6H2,(H,14,15)

InChI Key:

ZYUQPTVVOCTKKL-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1csc(n1)c1ccc2c(c1)OCO2

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.267g/mol

Monoisotopic Mass:

263.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9