Name: Name:2-methyl-2-[4-(thiophen-2-yl)-1H-1,2,3-triazol-1-yl]propanoic acid
Brand: Angene
SKU: AG01EKVS
Rating: 90 (10 reviews)

2-methyl-2-[4-(thiophen-2-yl)-1H-1,2,3-triazol-1-yl]propanoic acid

CAS No.:

2138036-14-1

Catalog Number:

AG01EKVS

Molecular Formula:

C10H11N3O2S

Molecular Weight:

237.2782

Catalog Number:

AG01EKVS

Chemical Name:

2-methyl-2-[4-(thiophen-2-yl)-1H-1,2,3-triazol-1-yl]propanoic acid

CAS Number:

2138036-14-1

Molecular Formula:

C10H11N3O2S

Molecular Weight:

237.2782

MDL Number:

MFCD31558971

IUPAC Name:

2-methyl-2-(4-thiophen-2-yltriazol-1-yl)propanoic acid

InChI:

InChI=1S/C10H11N3O2S/c1-10(2,9(14)15)13-6-7(11-12-13)8-4-3-5-16-8/h3-6H,1-2H3,(H,14,15)

InChI Key:

IVQHGUOSDPUBJE-UHFFFAOYSA-N

SMILES:

OC(=O)C(n1nnc(c1)c1cccs1)(C)C

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.277g/mol

Monoisotopic Mass:

237.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4