Name: Name:2-{6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-5-yl}acetic acid
Brand: Angene
SKU: AG019OBP
Rating: 90 (10 reviews)

2-{6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-5-yl}acetic acid

CAS No.:

257613-44-8

Catalog Number:

AG019OBP

Molecular Formula:

C12H8N2O4

Molecular Weight:

244.2029

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Product Description

Catalog Number:

AG019OBP

Chemical Name:

2-{6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-5-yl}acetic acid

CAS Number:

257613-44-8

Molecular Formula:

C12H8N2O4

Molecular Weight:

244.2029

MDL Number:

MFCD05910667

IUPAC Name:

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetic acid

InChI:

InChI=1S/C12H8N2O4/c15-9(16)5-14-6-13-10-7-3-1-2-4-8(7)18-11(10)12(14)17/h1-4,6H,5H2,(H,15,16)

InChI Key:

CCLZWLMZZHIGPX-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1cnc2c(c1=O)oc1c2cccc1

Properties

Complexity:

409

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.206g/mol

Monoisotopic Mass:

244.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

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