sodium (Z)-3-phenylprop-2-enoate

C9H7NaO2 — CID 23717933

IUPACsodium (Z)-3-phenylprop-2-enoate
SMILESO=C([O-])/C=C\c1ccccc1.[Na+]
InChIInChI=1S/C9H8O2.Na/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1/b7-6-;
InChIKeyDXIHILNWDOYYCH-NAFXZHHSSA-M
MW170.14 g/mol
LogP-2.55
Rot. Bonds2

About sodium (Z)-3-phenylprop-2-enoate

sodium (Z)-3-phenylprop-2-enoate (PubChem CID 23717933) has the molecular formula C9H7NaO2 and a molecular weight of 170.14 g/mol. Its IUPAC name is sodium (Z)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namesodium (Z)-3-phenylprop-2-enoate
PubChem CID23717933
Molecular FormulaC9H7NaO2
Molecular Weight170.14 g/mol
Exact Mass170.03
IUPAC Namesodium (Z)-3-phenylprop-2-enoate
SMILESO=C([O-])/C=C\c1ccccc1.[Na+]
InChIInChI=1S/C9H8O2.Na/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1/b7-6-;
InChIKeyDXIHILNWDOYYCH-NAFXZHHSSA-M
XLogP-2.55
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 ≤ 5-2.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis(3-phenylprop-2-enoate);tin(4+)
CID 157178082
barium(2+);bis(3-phenylprop-2-enoate)
CID 57371058
europium(2+);bis(3-phenylprop-2-enoate)
CID 173196474
lithium 3-phenylprop-2-enoate
CID 67041801
2-hydroxypropanoate;(E)-3-phenylprop-2-enoate
CID 21183403
disodium;4-methylpentanoic acid;bis(3-phenylprop-2-enoate)
CID 174884732
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014
(E)-2-oxo-4-phenylbut-3-enoate
CID 6994167
sodium;buta-1,3-diene;5-phenylpenta-2,4-dienoate
CID 175798582
disodium;3-[2-(2-carboxylatoethenyl)phenyl]prop-2-enoate
CID 163359031
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-3-phenylprop-2-enoate?
The IUPAC name of sodium (Z)-3-phenylprop-2-enoate (CID 23717933) is sodium (Z)-3-phenylprop-2-enoate.
What is the SMILES notation for sodium (Z)-3-phenylprop-2-enoate?
The canonical SMILES for sodium (Z)-3-phenylprop-2-enoate is O=C([O-])/C=C\c1ccccc1.[Na+].
What is the InChIKey of sodium (Z)-3-phenylprop-2-enoate?
The InChIKey is DXIHILNWDOYYCH-NAFXZHHSSA-M. The full InChI is InChI=1S/C9H8O2.Na/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1/b7-6-;.
What are the key properties of sodium (Z)-3-phenylprop-2-enoate?
sodium (Z)-3-phenylprop-2-enoate has a molecular weight of 170.14 g/mol, XLogP of -2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-3-phenylprop-2-enoate is sourced from PubChem (CID 23717933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).