Name: Name:1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl ester
Brand: Angene
SKU: AG008TB7
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl ester

CAS No.:

1135282-93-7

Catalog Number:

AG008TB7

Molecular Formula:

C9H11NO3

Molecular Weight:

181.1885

Catalog Number:

AG008TB7

Chemical Name:

1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl ester

CAS Number:

1135282-93-7

Molecular Formula:

C9H11NO3

Molecular Weight:

181.1885

MDL Number:

MFCD11840964

IUPAC Name:

methyl 4-propanoyl-1H-pyrrole-2-carboxylate

InChI:

InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(10-5-6)9(12)13-2/h4-5,10H,3H2,1-2H3

InChI Key:

GMDIDIYLWBUNEW-UHFFFAOYSA-N

SMILES:

CCC(=O)c1c[nH]c(c1)C(=O)OC

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.191g/mol

Monoisotopic Mass:

181.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1