Name: Name:Propanedioic acid, 2-(2-thienylmethyl)-, 1,3-dimethyl ester
Brand: Angene
SKU: AG001735
Rating: 90 (10 reviews)

Propanedioic acid, 2-(2-thienylmethyl)-, 1,3-dimethyl ester

CAS No.:

122308-25-2

Catalog Number:

AG001735

Molecular Formula:

C10H12O4S

Molecular Weight:

228.2649

Catalog Number:

AG001735

Chemical Name:

Propanedioic acid, 2-(2-thienylmethyl)-, 1,3-dimethyl ester

CAS Number:

122308-25-2

Molecular Formula:

C10H12O4S

Molecular Weight:

228.2649

MDL Number:

MFCD09757558

IUPAC Name:

dimethyl 2-(thiophen-2-ylmethyl)propanedioate

InChI:

InChI=1S/C10H12O4S/c1-13-9(11)8(10(12)14-2)6-7-4-3-5-15-7/h3-5,8H,6H2,1-2H3

InChI Key:

PIIHAJHYNTWOAF-UHFFFAOYSA-N

SMILES:

COC(=O)C(C(=O)OC)Cc1cccs1

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.262g/mol

Monoisotopic Mass:

228.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8