Name: Name:5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-methoxybenzoic acid
Brand: Angene
SKU: AG019IEV
Rating: 90 (10 reviews)

5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-methoxybenzoic acid

CAS No.:

556016-14-9

Catalog Number:

AG019IEV

Molecular Formula:

C17H13NO5

Molecular Weight:

311.2888

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Product Description

Catalog Number:

AG019IEV

Chemical Name:

5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-methoxybenzoic acid

CAS Number:

556016-14-9

Molecular Formula:

C17H13NO5

Molecular Weight:

311.2888

MDL Number:

MFCD04610169

IUPAC Name:

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoic acid

InChI:

InChI=1S/C17H13NO5/c1-23-14-7-6-10(8-13(14)17(21)22)9-18-15(19)11-4-2-3-5-12(11)16(18)20/h2-8H,9H2,1H3,(H,21,22)

InChI Key:

WNUCWHKTZGWVGV-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1C(=O)O)CN1C(=O)c2c(C1=O)cccc2

Properties

Complexity:

481

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.293g/mol

Monoisotopic Mass:

311.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

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