Name: Name:1H-Pyrrole-2,4-dicarboxylic acid 2-Methyl ester
Brand: Angene
SKU: AG00FH3U
Rating: 90 (10 reviews)

1H-Pyrrole-2,4-dicarboxylic acid 2-Methyl ester

CAS No.:

67858-48-4

Catalog Number:

AG00FH3U

Molecular Formula:

C7H7NO4

Molecular Weight:

169.1348

Catalog Number:

AG00FH3U

Chemical Name:

1H-Pyrrole-2,4-dicarboxylic acid 2-Methyl ester

CAS Number:

67858-48-4

Molecular Formula:

C7H7NO4

Molecular Weight:

169.1348

MDL Number:

MFCD13183827

IUPAC Name:

5-methoxycarbonyl-1H-pyrrole-3-carboxylic acid

InChI:

InChI=1S/C7H7NO4/c1-12-7(11)5-2-4(3-8-5)6(9)10/h2-3,8H,1H3,(H,9,10)

InChI Key:

DCLXLCVLMVUYQH-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(c[nH]1)C(=O)O

Complexity:

204

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.136g/mol

Monoisotopic Mass:

169.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4