Name: Name:1H-Pyrrole-3-carboxylic acid, 4-formyl-1,2,5-trimethyl-, methyl ester
Brand: Angene
SKU: AG0020QT
Rating: 90 (10 reviews)

1H-Pyrrole-3-carboxylic acid, 4-formyl-1,2,5-trimethyl-, methyl ester

CAS No.:

175276-49-0

Catalog Number:

AG0020QT

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

Catalog Number:

AG0020QT

Chemical Name:

1H-Pyrrole-3-carboxylic acid, 4-formyl-1,2,5-trimethyl-, methyl ester

CAS Number:

175276-49-0

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

MDL Number:

MFCD00203864

IUPAC Name:

methyl 4-formyl-1,2,5-trimethylpyrrole-3-carboxylate

InChI:

InChI=1S/C10H13NO3/c1-6-8(5-12)9(10(13)14-4)7(2)11(6)3/h5H,1-4H3

InChI Key:

NEDLMVCFWFSFNJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(C)n(c(c1C=O)C)C

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.218g/mol

Monoisotopic Mass:

195.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8