Name: Name:5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG01A17T
Rating: 90 (10 reviews)

5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:

78331-73-4

Catalog Number:

AG01A17T

Molecular Formula:

C9H11NO4

Molecular Weight:

197.1879

Catalog Number:

AG01A17T

Chemical Name:

5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

CAS Number:

78331-73-4

Molecular Formula:

C9H11NO4

Molecular Weight:

197.1879

IUPAC Name:

5-methoxycarbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

InChI:

InChI=1S/C9H11NO4/c1-4-6(8(11)12)5(2)10-7(4)9(13)14-3/h10H,1-3H3,(H,11,12)

InChI Key:

UGNGWWQMFJZVSA-UHFFFAOYSA-N

SMILES:

COC(=O)c1[nH]c(c(c1C)C(=O)O)C

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.19g/mol

Monoisotopic Mass:

197.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2