AMMONIUM MANDELATE

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Details

Stereochemistry	RACEMIC
Molecular Formula	C8H7O3.H4N
Molecular Weight	169.1778
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMMONIUM MANDELATE

Structure Search

SMILES

[NH4+].OC(C([O-])=O)C1=CC=CC=C1

InChI

InChIKey=BDEXTKUJIZCFST-UHFFFAOYSA-N

InChI=1S/C8H8O3.H3N/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);1H3

HIDE SMILES / InChI

Molecular Formula	H3N
Molecular Weight	17.0305
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C8H8O3
Molecular Weight	152.1473
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:45:00 UTC 2023` Edited by `admin` on `Fri Dec 15 18:45:00 UTC 2023`
Record UNII	6PGE18556E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMMONIUM MANDELATE

Common Name

English

MANDELIC ACID AMMONIUM SALT

Common Name

English

AMMONIUM MANDELATE [MI]

Common Name

English

.ALPHA.-HYDROXYBENZENEACETIC ACID AMMONIUM SALT (1:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30967475

Created by admin on Fri Dec 15 18:45:00 UTC 2023 , Edited by admin on Fri Dec 15 18:45:00 UTC 2023

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MERCK INDEX

m1799

Created by admin on Fri Dec 15 18:45:00 UTC 2023 , Edited by admin on Fri Dec 15 18:45:00 UTC 2023

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Merck Index

ECHA (EC/EINECS)

208-475-8

Created by admin on Fri Dec 15 18:45:00 UTC 2023 , Edited by admin on Fri Dec 15 18:45:00 UTC 2023

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CAS

530-31-4

Created by admin on Fri Dec 15 18:45:00 UTC 2023 , Edited by admin on Fri Dec 15 18:45:00 UTC 2023

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ChEMBL

CHEMBL2105969

Created by admin on Fri Dec 15 18:45:00 UTC 2023 , Edited by admin on Fri Dec 15 18:45:00 UTC 2023

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FDA UNII

6PGE18556E

Created by admin on Fri Dec 15 18:45:00 UTC 2023 , Edited by admin on Fri Dec 15 18:45:00 UTC 2023

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PUBCHEM

10732

Created by admin on Fri Dec 15 18:45:00 UTC 2023 , Edited by admin on Fri Dec 15 18:45:00 UTC 2023

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Related Record Type Details


					NH496X0UJX

PARENT -> SALT/SOLVATE