H7Y

ISOEUGENOL

Created:	2016-03-01
Last modified:	2016-07-27

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2 entries where H7Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of H7Y

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Chemical Component Summary
Name	ISOEUGENOL
Systematic Name (OpenEye OEToolkits)	2-methoxy-4-[(E)-prop-1-enyl]phenol
Formula	C₁₀ H₁₂ O₂
Molecular Weight	164.201
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(C=CC)ccc1O
SMILES	OpenEye OEToolkits	1.7.6	CC=Cc1ccc(c(c1)OC)O
Canonical SMILES	CACTVS	3.385	COc1cc(/C=C/C)ccc1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C/C=C/c1ccc(c(c1)OC)O
InChI	InChI	1.03	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
InChIKey	InChI	1.03	BJIOGJUNALELMI-ONEGZZNKSA-N

Related Resource References

Resource Name	Reference
PubChem	853433
ChEMBL	CHEMBL193598
ChEBI	CHEBI:18224, CHEBI:50545

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