DH6

CINNAMIDE

Created:	2015-06-03
Last modified:	2015-07-22

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1 entries where DH6 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of DH6

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Chemical Component Summary
Name	CINNAMIDE
Systematic Name (OpenEye OEToolkits)	(E)-3-phenylprop-2-enamide
Formula	C₉ H₉ N O
Molecular Weight	147.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)C=Cc1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C=CC(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)\C=C\c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)/C=C/C(=O)N
InChI	InChI	1.03	InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
InChIKey	InChI	1.03	APEJMQOBVMLION-VOTSOKGWSA-N

Related Resource References

Resource Name	Reference
PubChem	5273472
ChEBI	CHEBI:23246, CHEBI:76320
CCDC/CSD	XAXPUH, ZZZMRU02, EBOSIX01, EBOSIX02, XAXPOB, JECZAS, XAXPIV02, ZZZMRU01
COD	2011539, 2102109, 2102110, 2011540

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