N-Methylisatoic anhydride

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Molecular Formula:

C9H7NO3

Molecular Weight:

177.16

CAS Number:

10328-92-4

Catalog Number:

10328-92-4

Product Information

Molecular Formula:

C9H7NO3

Molecular Weight:

177.16

Description

N-methylisatoic anhydride is a 3,1-benzoxazin-1,4-dione having an N-methyl substituent.

Synonyms

1-Methyl-1H -benzo[d ][1,3]oxazine-2,4-dione,1-Methyl-4H -3,1-benzoxazine-2,4(1H )dione

IUPAC Name

1-methyl-3,1-benzoxazine-2,4-dione

Canonical SMILES

CN1C2=CC=CC=C2C(=O)OC1=O

InChI

InChI=1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3

InChI Key

KJMRWDHBVCNLTQ-UHFFFAOYSA-N

Melting Point

165 °C (dec.) (lit.)

Purity

0.9

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

0.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

177.042593085 g/mol

Monoisotopic Mass

177.042593085 g/mol

Topological Polar Surface Area

46.6Å²

Heavy Atom Count

Formal Charge

Complexity

251

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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N-Methylisatoic anhydride

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Safety Information

Computed Properties

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