MNN

(S)-MANDELIC ACID NITRILE

Created:	2005-01-19
Last modified:	2021-03-01

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1 entries where MNN is found as a standalone ligand2 entries where MNN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	1
Bond Count	17
Aromatic Bond Count	6

2D diagram of MNN

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Chemical Component Summary
Name	(S)-MANDELIC ACID NITRILE
Synonyms	(S)-HYDROXY(PHENYL)ACETONITRILE
Systematic Name (OpenEye OEToolkits)	(2S)-2-hydroxy-2-phenyl-ethanenitrile
Formula	C₈ H₇ N O
Molecular Weight	133.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N#CC(O)c1ccccc1
SMILES	CACTVS	3.341	O[CH](C#N)c1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(C#N)O
Canonical SMILES	CACTVS	3.341	O[C@H](C#N)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)[C@@H](C#N)O
InChI	InChI	1.03	InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1
InChIKey	InChI	1.03	NNICRUQPODTGRU-MRVPVSSYSA-N

Drug Info: DrugBank

DrugBank ID	DB04737
Name	(S)-mandelonitrile
Groups	experimental
Synonyms	l-mandelonitrile (S)-mandelonitrile (S)-(−)-mandelonitrile (S)-Benzaldehyde cyanohydrin (−)-mandelonitrile
CAS number	28549-12-4

Related Resource References

Resource Name	Reference
PubChem	439767
ChEBI	CHEBI:36941
CCDC/CSD	RUMFOV, XEGJUQ

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