CID 12625522

C7H7O2 — CID 12625522

IUPAC—
SMILESO=C(O)C1[CH]C=CC=C1
InChIInChI=1S/C7H7O2/c8-7(9)6-4-2-1-3-5-6/h1-6H,(H,8,9)
InChIKeyAZRDSMZLMYRJBF-UHFFFAOYSA-N
MW123.13 g/mol
LogP1.02
Rot. Bonds1

About CID 12625522

CID 12625522 (PubChem CID 12625522) has the molecular formula C7H7O2 and a molecular weight of 123.13 g/mol.

Molecular Properties

Compound NameCID 12625522
PubChem CID12625522
Molecular FormulaC7H7O2
Molecular Weight123.13 g/mol
Exact Mass123.04
IUPAC Name—
SMILESO=C(O)C1[CH]C=CC=C1
InChIInChI=1S/C7H7O2/c8-7(9)6-4-2-1-3-5-6/h1-6H,(H,8,9)
InChIKeyAZRDSMZLMYRJBF-UHFFFAOYSA-N
XLogP1.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 12625522?
The IUPAC name of CID 12625522 (CID 12625522) is not available.
What is the SMILES notation for CID 12625522?
The canonical SMILES for CID 12625522 is O=C(O)C1[CH]C=CC=C1.
What is the InChIKey of CID 12625522?
The InChIKey is AZRDSMZLMYRJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2/c8-7(9)6-4-2-1-3-5-6/h1-6H,(H,8,9).
What are the key properties of CID 12625522?
CID 12625522 has a molecular weight of 123.13 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12625522 is sourced from PubChem (CID 12625522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).