YAC

(4Z)-6-oxo-6-phenylhex-4-enoic acid

Created:	2014-10-02
Last modified:	2024-09-27

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1 entries where YAC is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of YAC

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Chemical Component Summary
Name	(4Z)-6-oxo-6-phenylhex-4-enoic acid
Systematic Name (OpenEye OEToolkits)	(Z)-6-oxidanylidene-6-phenyl-hex-4-enoic acid
Formula	C₁₂ H₁₂ O₃
Molecular Weight	204.222
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(\C=C/CCC(=O)O)c1ccccc1
SMILES	CACTVS	3.385	OC(=O)CCC=CC(=O)c1ccccc1
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C(=O)C=CCCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CC\C=C/C(=O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C(=O)/C=C\CCC(=O)O
InChI	InChI	1.03	InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4-
InChIKey	InChI	1.03	NTFJREPOKYATTH-YWEYNIOJSA-N

Related Resource References

Resource Name	Reference
PubChem	137350185

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