3PL

3-PHENYLPROPANAL

Created:	2005-01-14
Last modified:	2024-09-27

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6 entries where 3PL 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 3PL

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Chemical Component Summary
Name	3-PHENYLPROPANAL
Systematic Name (OpenEye OEToolkits)	3-phenylpropanal
Formula	C₉ H₁₀ O
Molecular Weight	134.175
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CCCc1ccccc1
SMILES	CACTVS	3.341	O=CCCc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCC=O
Canonical SMILES	CACTVS	3.341	O=CCCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCC=O
InChI	InChI	1.03	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKey	InChI	1.03	YGCZTXZTJXYWCO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7707
ChEMBL	CHEMBL440161
ChEBI	CHEBI:39940

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