CID 59303845

C9H6O3 — CID 59303845

IUPAC—
SMILES[CH]C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H6O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h1-4H,5H2
InChIKeyOMJBPIWPDAOIQE-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.31
Rot. Bonds1

About CID 59303845

CID 59303845 (PubChem CID 59303845) has the molecular formula C9H6O3 and a molecular weight of 162.14 g/mol.

Molecular Properties

Compound NameCID 59303845
PubChem CID59303845
Molecular FormulaC9H6O3
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Name—
SMILES[CH]C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H6O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h1-4H,5H2
InChIKeyOMJBPIWPDAOIQE-UHFFFAOYSA-N
XLogP1.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)ethanone;ethene
CID 143061160
2-(1,3-benzodioxol-5-yl)-2-oxoacetyl chloride
CID 11052984
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
2-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-oxoacetamide
CID 82116103
(2R,3R)-1-(1,3-benzodioxol-5-yl)-2,3-dimethylpentane-1,4-dione
CID 132529759
1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone
CID 43338555
1,3-benzodioxol-5-yl-(4-tert-butylphenyl)methanone
CID 43337774
1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methanone
CID 146006397
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,3-dione
CID 63319607
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937

Frequently Asked Questions

What is the IUPAC name of CID 59303845?
The IUPAC name of CID 59303845 (CID 59303845) is not available.
What is the SMILES notation for CID 59303845?
The canonical SMILES for CID 59303845 is [CH]C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of CID 59303845?
The InChIKey is OMJBPIWPDAOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h1-4H,5H2.
What are the key properties of CID 59303845?
CID 59303845 has a molecular weight of 162.14 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303845 is sourced from PubChem (CID 59303845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).