CID 101353310

C6H5O4 — CID 101353310

IUPAC—
SMILES[O]OC1C=CC=CC(=O)O1
InChIInChI=1S/C6H5O4/c7-5-3-1-2-4-6(9-5)10-8/h1-4,6H
InChIKeyQUINIZSFKYXNJN-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.34
Rot. Bonds1

About CID 101353310

CID 101353310 (PubChem CID 101353310) has the molecular formula C6H5O4 and a molecular weight of 141.10 g/mol.

Molecular Properties

Compound NameCID 101353310
PubChem CID101353310
Molecular FormulaC6H5O4
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name—
SMILES[O]OC1C=CC=CC(=O)O1
InChIInChI=1S/C6H5O4/c7-5-3-1-2-4-6(9-5)10-8/h1-4,6H
InChIKeyQUINIZSFKYXNJN-UHFFFAOYSA-N
XLogP0.34
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-trimethylsilyloxy-2H-furan-5-one
CID 91749621
(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
CID 131749935
(2R,5R,6Z,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
CID 140681812
2-cyclopentyloxy-2H-furan-5-one
CID 22445978
tert-butyl (5-oxo-2H-furan-2-yl) carbonate
CID 11074395
(2S)-2-hydroxy-2H-furan-5-one
CID 11073352
2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate
CID 157160193
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
CID 14056133
8-bromocycloocta-2,4,6-trien-1-one
CID 71392363
(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
CID 13391762
2-[(Z)-hex-3-enoxy]-2H-furan-5-one
CID 67572786
(3E,5E,7E,9E,11E,13S,14R,16R,18R,20S,22S,24R,26R,27E,29S,30S)-14,16,18,20,22,24,26-heptahydroxy-13,29-dimethyl-30-propan-2-yl-1-oxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one
CID 11124887

Frequently Asked Questions

What is the IUPAC name of CID 101353310?
The IUPAC name of CID 101353310 (CID 101353310) is not available.
What is the SMILES notation for CID 101353310?
The canonical SMILES for CID 101353310 is [O]OC1C=CC=CC(=O)O1.
What is the InChIKey of CID 101353310?
The InChIKey is QUINIZSFKYXNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O4/c7-5-3-1-2-4-6(9-5)10-8/h1-4,6H.
What are the key properties of CID 101353310?
CID 101353310 has a molecular weight of 141.10 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101353310 is sourced from PubChem (CID 101353310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).