4-Hydroxy-3-nitrophenylacetic acid-d5

CAS

929709-59-1

Catalog Number

ACM929709591

Category

Other Products

Molecular Weight

202.18

Molecular Formula

C₈H₂D₅NO₅

MSDS COA Spec Sheet

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Specification

Synonyms

4-Hydroxy-3-nitrobenzeneacetic Acid-d5;

IUPAC Name

2,2-dideuterio-2-(2,3,6-trideuterio-4-hydroxy-5-nitrophenyl)acetic acid

Canonical SMILES

C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O

InChI Key

QBHBHOSRLDPIHG-QUWGTZMWSA-N

Exact Mass

197.03200

H-Bond Acceptor

H-Bond Donor

What is the PubChem CID of 4-Hydroxy-3-nitrophenylacetic acid-d5?

PubChem CID 71749210.

What is the molecular formula of 4-Hydroxy-3-nitrophenylacetic acid-d5?

The molecular formula is C8H7NO5.

What are the synonyms for 4-Hydroxy-3-nitrophenylacetic acid-d5?

The synonyms are 929709-59-1, 4-Hydroxy-3-nitrophenylacetic Acid-d5, 2,2-dideuterio-2-(2,3,6-trideuterio-4-hydroxy-5-nitrophenyl)acetic acid, 2-[4-hydroxy-3-nitro(2,5,6-?H?)phenyl](?H?)acetic acid, DTXSID90857808, and more.

What is the molecular weight of 4-Hydroxy-3-nitrophenylacetic acid-d5?

The molecular weight is 202.18 g/mol.

When was 4-Hydroxy-3-nitrophenylacetic acid-d5 created in PubChem?

It was created on November 1, 2013.

When was 4-Hydroxy-3-nitrophenylacetic acid-d5 last modified in PubChem?

It was last modified on December 30, 2023.

What is the IUPAC name of 4-Hydroxy-3-nitrophenylacetic acid-d5?

The IUPAC name is 2,2-dideuterio-2-(2,3,6-trideuterio-4-hydroxy-5-nitrophenyl)acetic acid.

What is the InChI of 4-Hydroxy-3-nitrophenylacetic acid-d5?

The InChI is InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)/i1D,2D,3D,4D2.

What is the InChIKey of 4-Hydroxy-3-nitrophenylacetic acid-d5?

The InChIKey is QBHBHOSRLDPIHG-QUWGTZMWSA-N.

What are the computed properties of 4-Hydroxy-3-nitrophenylacetic acid-d5?

The computed properties include molecular weight, XLogP3, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.

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