CID 101033602

C4H3O3 — CID 101033602

IUPAC—
SMILES[O]Oc1ccco1
InChIInChI=1S/C4H3O3/c5-7-4-2-1-3-6-4/h1-3H
InChIKeyFMTYLJWOLRORQA-UHFFFAOYSA-N
MW99.06 g/mol
LogP1.00
Rot. Bonds1

About CID 101033602

CID 101033602 (PubChem CID 101033602) has the molecular formula C4H3O3 and a molecular weight of 99.06 g/mol.

Molecular Properties

Compound NameCID 101033602
PubChem CID101033602
Molecular FormulaC4H3O3
Molecular Weight99.06 g/mol
Exact Mass99.01
IUPAC Name—
SMILES[O]Oc1ccco1
InChIInChI=1S/C4H3O3/c5-7-4-2-1-3-6-4/h1-3H
InChIKeyFMTYLJWOLRORQA-UHFFFAOYSA-N
XLogP1.00
TPSA42.27 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.06
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

bis(furan-2-yl) sulfate
CID 70505837
furan-2-yl sulfamate
CID 91573217
potassium furan-2-yl carbonate
CID 174835445
calcium;furan-2-yl hydrogen carbonate;hydride;hydrate
CID 173498538
furan-2-yloxy(methyl)phosphinic acid
CID 88617556
aluminum;furan-2-yl phosphate;hydroxide
CID 174460953
furan-2-yl ethanesulfonate
CID 20568043
calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate
CID 69417333
furan-2-yloxysulfamic acid
CID 141225555
furan-2-yl 3-amino-3-oxopropanoate
CID 141082647
furan-2-yl(furan-2-yloxy)borinic acid
CID 174172079
furan-2-yl triphenylgermylformate
CID 11101761

Frequently Asked Questions

What is the IUPAC name of CID 101033602?
The IUPAC name of CID 101033602 (CID 101033602) is not available.
What is the SMILES notation for CID 101033602?
The canonical SMILES for CID 101033602 is [O]Oc1ccco1.
What is the InChIKey of CID 101033602?
The InChIKey is FMTYLJWOLRORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3O3/c5-7-4-2-1-3-6-4/h1-3H.
What are the key properties of CID 101033602?
CID 101033602 has a molecular weight of 99.06 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101033602 is sourced from PubChem (CID 101033602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).