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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H7NO
Molecular Weight 133.1473
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MANDELONITRILE, (+)-

SMILES

O[C@@H](C#N)C1=CC=CC=C1

InChI

InChIKey=NNICRUQPODTGRU-QMMMGPOBSA-N
InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H7NO
Molecular Weight 133.1473
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:29:34 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:34 GMT 2023
Record UNII
B46TK780ZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MANDELONITRILE, (+)-
Common Name English
(+)-.ALPHA.-MANDELONITRILE
Common Name English
MANDELONITRILE D-FORM [MI]
Common Name English
(+)-MANDELONITRILE
Common Name English
BENZENEACETONITRILE, .ALPHA.-HYDROXY-, (.ALPHA.R)-
Systematic Name English
(R)-HYDROXY(PHENYL)ACETONITRILE
Systematic Name English
MANDELONITRILE, D-
Common Name English
(+)-(.ALPHA.R)-.ALPHA.-HYDROXYBENZENEACETONITRILE
Common Name English
Code System Code Type Description
FDA UNII
B46TK780ZC
Created by admin on Sat Dec 16 09:29:34 GMT 2023 , Edited by admin on Sat Dec 16 09:29:34 GMT 2023
PRIMARY
CAS
10020-96-9
Created by admin on Sat Dec 16 09:29:34 GMT 2023 , Edited by admin on Sat Dec 16 09:29:34 GMT 2023
PRIMARY
MERCK INDEX
m7053
Created by admin on Sat Dec 16 09:29:34 GMT 2023 , Edited by admin on Sat Dec 16 09:29:34 GMT 2023
PRIMARY Merck Index
CHEBI
18450
Created by admin on Sat Dec 16 09:29:34 GMT 2023 , Edited by admin on Sat Dec 16 09:29:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID50429525
Created by admin on Sat Dec 16 09:29:34 GMT 2023 , Edited by admin on Sat Dec 16 09:29:34 GMT 2023
PRIMARY
PUBCHEM
9548674
Created by admin on Sat Dec 16 09:29:34 GMT 2023 , Edited by admin on Sat Dec 16 09:29:34 GMT 2023
PRIMARY