CID 70224290

C11H12BO2 — CID 70224290

IUPAC—
SMILESC[B]c1ccc(/C=C/C)c(C(=O)O)c1
InChIInChI=1S/C11H12BO2/c1-3-4-8-5-6-9(12-2)7-10(8)11(13)14/h3-7H,1-2H3,(H,13,14)/b4-3+
InChIKeyZWEVLOQCOZHXID-ONEGZZNKSA-N
MW187.03 g/mol
LogP1.80
Rot. Bonds3

About CID 70224290

CID 70224290 (PubChem CID 70224290) has the molecular formula C11H12BO2 and a molecular weight of 187.03 g/mol.

Molecular Properties

Compound NameCID 70224290
PubChem CID70224290
Molecular FormulaC11H12BO2
Molecular Weight187.03 g/mol
Exact Mass187.09
IUPAC Name—
SMILESC[B]c1ccc(/C=C/C)c(C(=O)O)c1
InChIInChI=1S/C11H12BO2/c1-3-4-8-5-6-9(12-2)7-10(8)11(13)14/h3-7H,1-2H3,(H,13,14)/b4-3+
InChIKeyZWEVLOQCOZHXID-ONEGZZNKSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-prop-1-enylnaphthalene-1-carboxylic acid
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2-fluoro-3-prop-1-enylbenzoic acid
CID 67068425
4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid
CID 169454037
butane;3-methyl-4-[(Z)-prop-1-enyl]benzoic acid
CID 145106644
4-(3-carboxyprop-1-enyl)benzene-1,3-dicarboxylic acid
CID 170484358
2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid
CID 169453554
2-(3-carboxyprop-1-enyl)-5-methylbenzoic acid
CID 170483830
4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
2-phenoxy-3-prop-1-enylbenzoic acid
CID 174630451
5-methyl-2-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478610

Frequently Asked Questions

What is the IUPAC name of CID 70224290?
The IUPAC name of CID 70224290 (CID 70224290) is not available.
What is the SMILES notation for CID 70224290?
The canonical SMILES for CID 70224290 is C[B]c1ccc(/C=C/C)c(C(=O)O)c1.
What is the InChIKey of CID 70224290?
The InChIKey is ZWEVLOQCOZHXID-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12BO2/c1-3-4-8-5-6-9(12-2)7-10(8)11(13)14/h3-7H,1-2H3,(H,13,14)/b4-3+.
What are the key properties of CID 70224290?
CID 70224290 has a molecular weight of 187.03 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70224290 is sourced from PubChem (CID 70224290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).