Name: Name:2-(3,4-Dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Brand: Angene
SKU: AG00I7UE
Rating: 90 (10 reviews)

2-(3,4-Dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

CAS No.:

400080-46-8

Catalog Number:

AG00I7UE

Molecular Formula:

C13H13NO4S

Molecular Weight:

279.3116

Catalog Number:

AG00I7UE

Chemical Name:

2-(3,4-Dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

CAS Number:

400080-46-8

Molecular Formula:

C13H13NO4S

Molecular Weight:

279.3116

MDL Number:

MFCD01936223

IUPAC Name:

2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

InChI:

InChI=1S/C13H13NO4S/c1-7-11(13(15)16)19-12(14-7)8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H,15,16)

InChI Key:

XLOKWLWQQDZOIT-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)c1nc(c(s1)C(=O)O)C

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.31g/mol

Monoisotopic Mass:

279.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8