14F

2-amino-4,5-dimethoxybenzoic acid

Created:	2011-03-28
Last modified:	2012-09-21

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1 entries where 14F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

2D diagram of 14F

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Chemical Component Summary
Name	2-amino-4,5-dimethoxybenzoic acid
Systematic Name (OpenEye OEToolkits)	2-azanyl-4,5-dimethoxy-benzoic acid
Formula	C₉ H₁₁ N O₄
Molecular Weight	197.188
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1c(cc(OC)c(OC)c1)N
SMILES	CACTVS	3.370	COc1cc(N)c(cc1OC)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	COc1cc(c(cc1OC)N)C(=O)O
Canonical SMILES	CACTVS	3.370	COc1cc(N)c(cc1OC)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1cc(c(cc1OC)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey	InChI	1.03	HJVAVGOPTDJYOJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	79736

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