Name: Name:4-(((2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid
Brand: Angene
SKU: AG003JXB
Rating: 90 (10 reviews)

4-(((2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid

CAS No.:

4116-42-1

Catalog Number:

AG003JXB

Molecular Formula:

C13H11N3O6

Molecular Weight:

305.2429

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Product Description

Catalog Number:

AG003JXB

Chemical Name:

4-(((2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid

CAS Number:

4116-42-1

Molecular Formula:

C13H11N3O6

Molecular Weight:

305.2429

MDL Number:

MFCD22495132

IUPAC Name:

4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybenzoic acid

InChI:

InChI=1S/C13H11N3O6/c17-9-5-7(1-2-8(9)12(20)21)14-11(19)6-16-4-3-10(18)15-13(16)22/h1-5,17H,6H2,(H,14,19)(H,20,21)(H,15,18,22)

InChI Key:

CSMIMYLGRREXAC-UHFFFAOYSA-N

SMILES:

O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(c(c1)O)C(=O)O

NSC Number:

93033

Properties

Complexity:

532

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

305.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.246g/mol

Monoisotopic Mass:

305.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

136A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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