31R

3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid

Created:	2014-05-22
Last modified:	2014-07-16

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1 entries where 31R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	12

2D diagram of 31R

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Chemical Component Summary
Name	3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)propanoic acid
Formula	C₁₈ H₁₄ O₅
Molecular Weight	310.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCc2c(O)cc1OC(=O)C=C(c1c2)c3ccccc3
SMILES	CACTVS	3.385	OC(=O)CCc1cc2c(OC(=O)C=C2c3ccccc3)cc1O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCc1cc2c(OC(=O)C=C2c3ccccc3)cc1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C18H14O5/c19-15-10-16-14(8-12(15)6-7-17(20)21)13(9-18(22)23-16)11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2,(H,20,21)
InChIKey	InChI	1.03	ANHFSWPHLAPWBN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	39878531

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