Name: Name:PROPANEDIOIC ACID, 2-(2-NITRO-1-PHENYLETHYL)-, 1,3-DIETHYL ESTER
Brand: Angene
SKU: AG002LRP
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PROPANEDIOIC ACID, 2-(2-NITRO-1-PHENYLETHYL)-, 1,3-DIETHYL ESTER

CAS No.:

22975-21-9

Catalog Number:

AG002LRP

Molecular Formula:

C15H19NO6

Molecular Weight:

309.3145

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Product Description

Catalog Number:

AG002LRP

Chemical Name:

PROPANEDIOIC ACID, 2-(2-NITRO-1-PHENYLETHYL)-, 1,3-DIETHYL ESTER

CAS Number:

22975-21-9

Molecular Formula:

C15H19NO6

Molecular Weight:

309.3145

MDL Number:

MFCD02941009

IUPAC Name:

diethyl 2-(2-nitro-1-phenylethyl)propanedioate

InChI:

InChI=1S/C15H19NO6/c1-3-21-14(17)13(15(18)22-4-2)12(10-16(19)20)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3

InChI Key:

VQKSJEVJSPWVIE-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(C(c1ccccc1)C[N+](=O)[O-])C(=O)OCC

NSC Number:

229048

Properties

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.318g/mol

Monoisotopic Mass:

309.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

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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