O65

3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde

Created:	2020-02-10
Last modified:	2024-09-27

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5 entries where O65 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of O65

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Chemical Component Summary
Name	3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
Systematic Name (OpenEye OEToolkits)	3,5-bis(hydroxymethyl)-4-methyl-benzoic acid
Formula	C₁₀ H₁₂ O₄
Molecular Weight	196.2
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1c(CO)cc(cc1CO)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc(cc1CO)C(=O)O)CO
Canonical SMILES	CACTVS	3.385	Cc1c(CO)cc(cc1CO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc(cc1CO)C(=O)O)CO
InChI	InChI	1.03	InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14)
InChIKey	InChI	1.03	TUVLEKCXFRQTBI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	50742074

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