benzoic acid;formic acid;prop-2-enoic acid

C11H12O6 — CID 141485306

IUPACbenzoic acid;formic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)c1ccccc1.O=CO
InChIInChI=1S/C7H6O2.C3H4O2.CH2O2/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5;2-1-3/h1-5H,(H,8,9);2H,1H2,(H,4,5);1H,(H,2,3)
InChIKeyMJNAKNBXZGJQPI-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.34
Rot. Bonds2

About benzoic acid;formic acid;prop-2-enoic acid

benzoic acid;formic acid;prop-2-enoic acid (PubChem CID 141485306) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is benzoic acid;formic acid;prop-2-enoic acid.

Molecular Properties

Compound Namebenzoic acid;formic acid;prop-2-enoic acid
PubChem CID141485306
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namebenzoic acid;formic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)c1ccccc1.O=CO
InChIInChI=1S/C7H6O2.C3H4O2.CH2O2/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5;2-1-3/h1-5H,(H,8,9);2H,1H2,(H,4,5);1H,(H,2,3)
InChIKeyMJNAKNBXZGJQPI-UHFFFAOYSA-N
XLogP1.34
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;formic acid
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CID 173061475
benzoic acid;ethene
CID 160765727
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CID 142179743
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CID 23295678
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CID 67861534
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CID 162272407
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CID 173089080
CID 87090637
CID 87090637
CID 87293530
CID 87293530

Frequently Asked Questions

What is the IUPAC name of benzoic acid;formic acid;prop-2-enoic acid?
The IUPAC name of benzoic acid;formic acid;prop-2-enoic acid (CID 141485306) is benzoic acid;formic acid;prop-2-enoic acid.
What is the SMILES notation for benzoic acid;formic acid;prop-2-enoic acid?
The canonical SMILES for benzoic acid;formic acid;prop-2-enoic acid is C=CC(=O)O.O=C(O)c1ccccc1.O=CO.
What is the InChIKey of benzoic acid;formic acid;prop-2-enoic acid?
The InChIKey is MJNAKNBXZGJQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C3H4O2.CH2O2/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5;2-1-3/h1-5H,(H,8,9);2H,1H2,(H,4,5);1H,(H,2,3).
What are the key properties of benzoic acid;formic acid;prop-2-enoic acid?
benzoic acid;formic acid;prop-2-enoic acid has a molecular weight of 240.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;formic acid;prop-2-enoic acid is sourced from PubChem (CID 141485306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).