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2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)acetic acid

HCID 58438483
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)Cc1ccc2c(n1)OCCO2
InChIKey
UBKIUOYYWODYKR-UHFFFAOYSA-N
Molecular formula
C9H9NO4
Average molar mass
195.17 g/mol
Monoisotopic mass
195.05315777

Names & identifiers

Preferred name
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)acetic acid
IUPAC
2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)acetic acid

Names & synonyms

2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)acetic acid1334784-92-7MFCD21603795SCHEMBL24313162-{2H,3H-[1,4]dioxino[2,3-b]pyridin-6-yl}acetic acidUBKIUOYYWODYKR-UHFFFAOYSA-NJDC78492AKOS022179971AS-39257CS-0444920EN300-140266F434613
Show more names
(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)acetic acid2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)aceticacid2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl) acetic acid

Database identifiers

PubChem CID
58438483

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
68.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
221

Related reactions

4 records
New reaction record
HRID 1232184 reaction equation
HRID 1232184As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1913438 reaction equation
HRID 1913438As productuspto-grants-2013_12
HRID 1913474 reaction equation
HRID 1913474As reactantuspto-grants-2013_12
HRID 2339128 reaction equation
HRID 2339128As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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