sodium 2-ethenylbenzoate

C9H7NaO2 — CID 23721872

IUPACsodium 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)[O-].[Na+]
InChIInChI=1S/C9H8O2.Na/c1-2-7-5-3-4-6-8(7)9(10)11;/h2-6H,1H2,(H,10,11);/q;+1/p-1
InChIKeyNBBBGQIVJBTPKR-UHFFFAOYSA-M
MW170.14 g/mol
LogP-2.30
Rot. Bonds2

About sodium 2-ethenylbenzoate

sodium 2-ethenylbenzoate (PubChem CID 23721872) has the molecular formula C9H7NaO2 and a molecular weight of 170.14 g/mol. Its IUPAC name is sodium 2-ethenylbenzoate.

Molecular Properties

Compound Namesodium 2-ethenylbenzoate
PubChem CID23721872
Molecular FormulaC9H7NaO2
Molecular Weight170.14 g/mol
Exact Mass170.03
IUPAC Namesodium 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)[O-].[Na+]
InChIInChI=1S/C9H8O2.Na/c1-2-7-5-3-4-6-8(7)9(10)11;/h2-6H,1H2,(H,10,11);/q;+1/p-1
InChIKeyNBBBGQIVJBTPKR-UHFFFAOYSA-M
XLogP-2.30
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 173313975
CID 173313975
tris(2-ethenylbenzoate);iron(3+)
CID 18680456
2-ethenylbenzoic acid;europium
CID 174925184
ethenylazanium;phthalate
CID 67748606
(Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid
CID 21425657
calcium;2-ethenylbenzoic acid;hydride
CID 174462542
disodium;hydron;phthalate
CID 23089010
benzoic acid;2-ethenylbenzoic acid
CID 158841861
1-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 172775927
2-ethenyl-N-phenylbenzamide
CID 12541487
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237

Frequently Asked Questions

What is the IUPAC name of sodium 2-ethenylbenzoate?
The IUPAC name of sodium 2-ethenylbenzoate (CID 23721872) is sodium 2-ethenylbenzoate.
What is the SMILES notation for sodium 2-ethenylbenzoate?
The canonical SMILES for sodium 2-ethenylbenzoate is C=Cc1ccccc1C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-ethenylbenzoate?
The InChIKey is NBBBGQIVJBTPKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8O2.Na/c1-2-7-5-3-4-6-8(7)9(10)11;/h2-6H,1H2,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-ethenylbenzoate?
sodium 2-ethenylbenzoate has a molecular weight of 170.14 g/mol, XLogP of -2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethenylbenzoate is sourced from PubChem (CID 23721872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).