(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver

C9H7AgClO2 — CID 88781807

IUPAC(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
SMILESO=C(O)/C=C/c1ccc(Cl)cc1.[Ag]
InChIInChI=1S/C9H7ClO2.Ag/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-6H,(H,11,12);/b6-3+;
InChIKeyJOAVQWHWXCLTIK-ZIKNSQGESA-N
MW290.47 g/mol
LogP2.44
Rot. Bonds2

About (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver

(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver (PubChem CID 88781807) has the molecular formula C9H7AgClO2 and a molecular weight of 290.47 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
PubChem CID88781807
Molecular FormulaC9H7AgClO2
Molecular Weight290.47 g/mol
Exact Mass288.92
IUPAC Name(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
SMILESO=C(O)/C=C/c1ccc(Cl)cc1.[Ag]
InChIInChI=1S/C9H7ClO2.Ag/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-6H,(H,11,12);/b6-3+;
InChIKeyJOAVQWHWXCLTIK-ZIKNSQGESA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)prop-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 173256953
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
CID 59090945
CID 59090945
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019619
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
3-(4-carbonochloridoylphenyl)prop-2-enoic acid
CID 85441841
zinc bis(3-(4-chlorophenyl)prop-2-enoate)
CID 158446938
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver?
The IUPAC name of (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver (CID 88781807) is (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver.
What is the SMILES notation for (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver?
The canonical SMILES for (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver is O=C(O)/C=C/c1ccc(Cl)cc1.[Ag].
What is the InChIKey of (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver?
The InChIKey is JOAVQWHWXCLTIK-ZIKNSQGESA-N. The full InChI is InChI=1S/C9H7ClO2.Ag/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-6H,(H,11,12);/b6-3+;.
What are the key properties of (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver?
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver has a molecular weight of 290.47 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)prop-2-enoic acid;silver is sourced from PubChem (CID 88781807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).