Name: Name:2-[5-acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]acetic acid
Brand: Angene
SKU: AG019OLC
Rating: 90 (10 reviews)

2-[5-acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]acetic acid

CAS No.:

867329-95-1

Catalog Number:

AG019OLC

Molecular Formula:

C11H13NO5

Molecular Weight:

239.2246

Catalog Number:

AG019OLC

Chemical Name:

2-[5-acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]acetic acid

CAS Number:

867329-95-1

Molecular Formula:

C11H13NO5

Molecular Weight:

239.2246

MDL Number:

MFCD07339535

IUPAC Name:

2-(5-acetyl-3-methoxycarbonyl-4-methyl-1H-pyrrol-2-yl)acetic acid

InChI:

InChI=1S/C11H13NO5/c1-5-9(11(16)17-3)7(4-8(14)15)12-10(5)6(2)13/h12H,4H2,1-3H3,(H,14,15)

InChI Key:

RTSUJTLZRWKLSV-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(CC(=O)O)[nH]c(c1C)C(=O)C

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.227g/mol

Monoisotopic Mass:

239.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4