DNA

1,4-dihydroxy-2-naphthoic acid

Created:	2009-07-10
Last modified:	2020-06-05

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

2D diagram of DNA

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Chemical Component Summary
Name	1,4-dihydroxy-2-naphthoic acid
Synonyms	1,4-dihydroxynaphthalene-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1,4-dihydroxynaphthalene-2-carboxylic acid
Formula	C₁₁ H₈ O₄
Molecular Weight	204.179
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)c2cc(O)c1ccccc1c2O
SMILES	CACTVS	3.352	OC(=O)c1cc(O)c2ccccc2c1O
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(cc(c2O)C(=O)O)O
Canonical SMILES	CACTVS	3.352	OC(=O)c1cc(O)c2ccccc2c1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(cc(c2O)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKey	InChI	1.03	VOJUXHHACRXLTD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	671
ChEMBL	CHEMBL1232286
ChEBI	CHEBI:18094

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