Name: Name:2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pent-4-ynoic acid
Brand: Angene
SKU: AG01ALC1
Rating: 90 (10 reviews)

2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pent-4-ynoic acid

CAS No.:

1544622-02-7

Catalog Number:

AG01ALC1

Molecular Formula:

C9H7NO4

Molecular Weight:

193.1562

Catalog Number:

AG01ALC1

Chemical Name:

2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pent-4-ynoic acid

CAS Number:

1544622-02-7

Molecular Formula:

C9H7NO4

Molecular Weight:

193.1562

MDL Number:

MFCD06220876

IUPAC Name:

2-(2,5-dioxopyrrol-1-yl)pent-4-ynoic acid

InChI:

InChI=1S/C9H7NO4/c1-2-3-6(9(13)14)10-7(11)4-5-8(10)12/h1,4-6H,3H2,(H,13,14)

InChI Key:

RINSUTUWISGBJY-UHFFFAOYSA-N

SMILES:

C#CCC(N1C(=O)C=CC1=O)C(=O)O

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.158g/mol

Monoisotopic Mass:

193.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3