CID 101447149

C3H7O3 — CID 101447149

IUPAC—
SMILESCOCCO[O]
InChIInChI=1S/C3H7O3/c1-5-2-3-6-4/h2-3H2,1H3
InChIKeyOUNFOOSOWDAIKF-UHFFFAOYSA-N
MW91.09 g/mol
LogP-0.01
Rot. Bonds3

About CID 101447149

CID 101447149 (PubChem CID 101447149) has the molecular formula C3H7O3 and a molecular weight of 91.09 g/mol.

Molecular Properties

Compound NameCID 101447149
PubChem CID101447149
Molecular FormulaC3H7O3
Molecular Weight91.09 g/mol
Exact Mass91.04
IUPAC Name—
SMILESCOCCO[O]
InChIInChI=1S/C3H7O3/c1-5-2-3-6-4/h2-3H2,1H3
InChIKeyOUNFOOSOWDAIKF-UHFFFAOYSA-N
XLogP-0.01
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.09
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101447149?
The IUPAC name of CID 101447149 (CID 101447149) is not available.
What is the SMILES notation for CID 101447149?
The canonical SMILES for CID 101447149 is COCCO[O].
What is the InChIKey of CID 101447149?
The InChIKey is OUNFOOSOWDAIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3/c1-5-2-3-6-4/h2-3H2,1H3.
What are the key properties of CID 101447149?
CID 101447149 has a molecular weight of 91.09 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101447149 is sourced from PubChem (CID 101447149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).