CID 174074799

C6H7BO2 — CID 174074799

IUPAC—
SMILES[B]C(=C)O/C=C/OC=C
InChIInChI=1S/C6H7BO2/c1-3-8-4-5-9-6(2)7/h3-5H,1-2H2/b5-4+
InChIKeyHVGHOQQILVSVBP-SNAWJCMRSA-N
MW121.93 g/mol
LogP1.27
Rot. Bonds4

About CID 174074799

CID 174074799 (PubChem CID 174074799) has the molecular formula C6H7BO2 and a molecular weight of 121.93 g/mol.

Molecular Properties

Compound NameCID 174074799
PubChem CID174074799
Molecular FormulaC6H7BO2
Molecular Weight121.93 g/mol
Exact Mass122.05
IUPAC Name—
SMILES[B]C(=C)O/C=C/OC=C
InChIInChI=1S/C6H7BO2/c1-3-8-4-5-9-6(2)7/h3-5H,1-2H2/b5-4+
InChIKeyHVGHOQQILVSVBP-SNAWJCMRSA-N
XLogP1.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.93
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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1,4-bis(2-ethenoxyethenyl)benzene
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Frequently Asked Questions

What is the IUPAC name of CID 174074799?
The IUPAC name of CID 174074799 (CID 174074799) is not available.
What is the SMILES notation for CID 174074799?
The canonical SMILES for CID 174074799 is [B]C(=C)O/C=C/OC=C.
What is the InChIKey of CID 174074799?
The InChIKey is HVGHOQQILVSVBP-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H7BO2/c1-3-8-4-5-9-6(2)7/h3-5H,1-2H2/b5-4+.
What are the key properties of CID 174074799?
CID 174074799 has a molecular weight of 121.93 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174074799 is sourced from PubChem (CID 174074799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).