Name: Name:1-(1H-Imidazol-4-ylsulfonyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG00GVTE
Rating: 90 (10 reviews)

1-(1H-Imidazol-4-ylsulfonyl)piperidine-4-carboxylic acid

CAS No.:

899717-99-8

Catalog Number:

AG00GVTE

Molecular Formula:

C9H13N3O4S

Molecular Weight:

259.2822

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Purity

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Quantity

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United States

$1136

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Catalog Number:

AG00GVTE

Chemical Name:

1-(1H-Imidazol-4-ylsulfonyl)piperidine-4-carboxylic acid

CAS Number:

899717-99-8

Molecular Formula:

C9H13N3O4S

Molecular Weight:

259.2822

MDL Number:

MFCD12027230

IUPAC Name:

1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxylic acid

InChI:

InChI=1S/C9H13N3O4S/c13-9(14)7-1-3-12(4-2-7)17(15,16)8-5-10-6-11-8/h5-7H,1-4H2,(H,10,11)(H,13,14)

InChI Key:

GTRGMUITOGQNFD-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCN(CC1)S(=O)(=O)c1nc[nH]c1

Complexity:

384

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.28g/mol

Monoisotopic Mass:

259.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4