CID 59957400

C3H4O2 — CID 59957400

IUPAC—
SMILES[CH]OC(C)=O
InChIInChI=1S/C3H4O2/c1-3(4)5-2/h2H,1H3
InChIKeyQSYUPTLSMPABLC-UHFFFAOYSA-N
MW72.06 g/mol
LogP0.22
Rot. Bonds

About CID 59957400

CID 59957400 (PubChem CID 59957400) has the molecular formula C3H4O2 and a molecular weight of 72.06 g/mol.

Molecular Properties

Compound NameCID 59957400
PubChem CID59957400
Molecular FormulaC3H4O2
Molecular Weight72.06 g/mol
Exact Mass72.02
IUPAC Name—
SMILES[CH]OC(C)=O
InChIInChI=1S/C3H4O2/c1-3(4)5-2/h2H,1H3
InChIKeyQSYUPTLSMPABLC-UHFFFAOYSA-N
XLogP0.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.06
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59957400?
The IUPAC name of CID 59957400 (CID 59957400) is not available.
What is the SMILES notation for CID 59957400?
The canonical SMILES for CID 59957400 is [CH]OC(C)=O.
What is the InChIKey of CID 59957400?
The InChIKey is QSYUPTLSMPABLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2/c1-3(4)5-2/h2H,1H3.
What are the key properties of CID 59957400?
CID 59957400 has a molecular weight of 72.06 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59957400 is sourced from PubChem (CID 59957400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).