CID 69279397

C9H8NaO2 — CID 69279397

IUPAC—
SMILESC=COC(=O)c1ccccc1.[Na]
InChIInChI=1S/C9H8O2.Na/c1-2-11-9(10)8-6-4-3-5-7-8;/h2-7H,1H2;
InChIKeyUPYIJMBHRQLKDZ-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.61
Rot. Bonds2

About CID 69279397

CID 69279397 (PubChem CID 69279397) has the molecular formula C9H8NaO2 and a molecular weight of 171.15 g/mol.

Molecular Properties

Compound NameCID 69279397
PubChem CID69279397
Molecular FormulaC9H8NaO2
Molecular Weight171.15 g/mol
Exact Mass171.04
IUPAC Name—
SMILESC=COC(=O)c1ccccc1.[Na]
InChIInChI=1S/C9H8O2.Na/c1-2-11-9(10)8-6-4-3-5-7-8;/h2-7H,1H2;
InChIKeyUPYIJMBHRQLKDZ-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethenyl benzoate
CID 158178912
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
ethenyl benzoate;methyl prop-2-enoate
CID 174376809
ethenyl 4-fluorobenzoate
CID 54757351
ethenyl 4-[[4-bis(4-ethenoxycarbonylphenyl)stibanylphenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate
CID 172860438
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
2-methylprop-1-enyl benzoate
CID 10487501
[(Z)-prop-1-enyl] benzoate
CID 11412549
ethenol;2-ethenoxycarbonylbenzoic acid
CID 174432530
biphenylene;ethenyl hydrogen carbonate
CID 67591083
ethenyl 4-methoxybenzoate;propan-2-one
CID 70140612
ethenyl 4-[[3,5-bis[bis(4-ethenoxycarbonylphenyl)stibanyl]phenyl]-(4-ethenoxycarbonylphenyl)stibanyl]benzoate
CID 172855984

Frequently Asked Questions

What is the IUPAC name of CID 69279397?
The IUPAC name of CID 69279397 (CID 69279397) is not available.
What is the SMILES notation for CID 69279397?
The canonical SMILES for CID 69279397 is C=COC(=O)c1ccccc1.[Na].
What is the InChIKey of CID 69279397?
The InChIKey is UPYIJMBHRQLKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.Na/c1-2-11-9(10)8-6-4-3-5-7-8;/h2-7H,1H2;.
What are the key properties of CID 69279397?
CID 69279397 has a molecular weight of 171.15 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69279397 is sourced from PubChem (CID 69279397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).