Name: Name:1-Oxo-2-(pyridin-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Brand: Angene
SKU: AG008V4Y
Rating: 90 (10 reviews)

1-Oxo-2-(pyridin-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

CAS No.:

1164528-69-1

Catalog Number:

AG008V4Y

Molecular Formula:

C15H14N2O4

Molecular Weight:

286.2827

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$129

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Product Description

Catalog Number:

AG008V4Y

Chemical Name:

1-Oxo-2-(pyridin-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

CAS Number:

1164528-69-1

Molecular Formula:

C15H14N2O4

Molecular Weight:

286.2827

MDL Number:

MFCD02127673

IUPAC Name:

4-oxo-3-(pyridin-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid

InChI:

InChI=1S/C15H14N2O4/c18-13-12-11(14(19)20)10-4-5-15(12,21-10)8-17(13)7-9-3-1-2-6-16-9/h1-6,10-12H,7-8H2,(H,19,20)

InChI Key:

XSEHIJHACSPQOL-UHFFFAOYSA-N

SMILES:

OC(=O)C1C2C=CC3(C1C(=O)N(C3)Cc1ccccn1)O2

Properties

Complexity:

520

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.287g/mol

Monoisotopic Mass:

286.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8

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

Properties