trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C10H13Na3O4 — CID 174973622

IUPACtrisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)ccc1O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H10O4.3Na.3H/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;;;;;;/h2-6,11H,1H3,(H,12,13);;;;;;/q;3*+1;3*-1
InChIKeyGWZGUKHVVWOLOJ-UHFFFAOYSA-N
MW266.18 g/mol
LogP-7.15
Rot. Bonds3

About trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (PubChem CID 174973622) has the molecular formula C10H13Na3O4 and a molecular weight of 266.18 g/mol. Its IUPAC name is trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Nametrisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
PubChem CID174973622
Molecular FormulaC10H13Na3O4
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Nametrisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)ccc1O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H10O4.3Na.3H/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;;;;;;/h2-6,11H,1H3,(H,12,13);;;;;;/q;3*+1;3*-1
InChIKeyGWZGUKHVVWOLOJ-UHFFFAOYSA-N
XLogP-7.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 5-7.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 161331939
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
CID 14053117
benzamide;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174791707
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
magnesium;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;3-(3-methoxy-4-oxidophenyl)prop-2-enoate
CID 154734960
magnesium;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;(E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoate
CID 102269379
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;1H-pyrazole
CID 175111397
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
2,3-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]butanedioic acid
CID 46202731
S-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioate
CID 122188493

Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (CID 174973622) is trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is COc1cc(C=CC(=O)O)ccc1O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is GWZGUKHVVWOLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.3Na.3H/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;;;;;;/h2-6,11H,1H3,(H,12,13);;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 266.18 g/mol, XLogP of -7.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 174973622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).