sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride

C17H11NaO9 — CID 173228711

IUPACsodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
SMILESO=C(O)c1cc(C(=O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.[H-].[Na+]
InChIInChI=1S/C17H10O9.Na.H/c18-13(7-4-2-1-3-5-7)8-6-9(14(19)20)11(16(23)24)12(17(25)26)10(8)15(21)22;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;/q;+1;-1
InChIKeyXMQPGSYIDPVRAQ-UHFFFAOYSA-N
MW382.26 g/mol
LogP-1.17
Rot. Bonds6

About sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride

sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride (PubChem CID 173228711) has the molecular formula C17H11NaO9 and a molecular weight of 382.26 g/mol. Its IUPAC name is sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride.

Molecular Properties

Compound Namesodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
PubChem CID173228711
Molecular FormulaC17H11NaO9
Molecular Weight382.26 g/mol
Exact Mass382.03
IUPAC Namesodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
SMILESO=C(O)c1cc(C(=O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.[H-].[Na+]
InChIInChI=1S/C17H10O9.Na.H/c18-13(7-4-2-1-3-5-7)8-6-9(14(19)20)11(16(23)24)12(17(25)26)10(8)15(21)22;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;/q;+1;-1
InChIKeyXMQPGSYIDPVRAQ-UHFFFAOYSA-N
XLogP-1.17
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
3,4-dibenzoylphthalic acid
CID 22269446
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone
CID 19106285
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
disodium;diphenylmethanone
CID 19380838
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride?
The IUPAC name of sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride (CID 173228711) is sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride.
What is the SMILES notation for sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride?
The canonical SMILES for sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride is O=C(O)c1cc(C(=O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride?
The InChIKey is XMQPGSYIDPVRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O9.Na.H/c18-13(7-4-2-1-3-5-7)8-6-9(14(19)20)11(16(23)24)12(17(25)26)10(8)15(21)22;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;/q;+1;-1.
What are the key properties of sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride?
sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride has a molecular weight of 382.26 g/mol, XLogP of -1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride is sourced from PubChem (CID 173228711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).