CID 174976037

C9H10B — CID 174976037

IUPAC—
SMILESC=Cc1ccc(C)cc1.[B]
InChIInChI=1S/C9H10.B/c1-3-9-6-4-8(2)5-7-9;/h3-7H,1H2,2H3;
InChIKeySTDZRWUYHFILDT-UHFFFAOYSA-N
MW128.99 g/mol
LogP2.26
Rot. Bonds1

About CID 174976037

CID 174976037 (PubChem CID 174976037) has the molecular formula C9H10B and a molecular weight of 128.99 g/mol.

Molecular Properties

Compound NameCID 174976037
PubChem CID174976037
Molecular FormulaC9H10B
Molecular Weight128.99 g/mol
Exact Mass129.09
IUPAC Name—
SMILESC=Cc1ccc(C)cc1.[B]
InChIInChI=1S/C9H10.B/c1-3-9-6-4-8(2)5-7-9;/h3-7H,1H2,2H3;
InChIKeySTDZRWUYHFILDT-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.99
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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bis(1-ethenyl-4-methylbenzene);formaldehyde
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dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene
CID 175432319
(4-ethenylphenyl)-bis(4-methylphenyl)bismuthane
CID 11477443
1-ethenyl-4-methylbenzene;2-methylbuta-1,3-diene;2-methylprop-1-ene
CID 159294849
anthracene;1-ethenyl-4-methylbenzene
CID 174555561
1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
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1-ethenyl-4-(4-methylphenyl)benzene;hexane
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Frequently Asked Questions

What is the IUPAC name of CID 174976037?
The IUPAC name of CID 174976037 (CID 174976037) is not available.
What is the SMILES notation for CID 174976037?
The canonical SMILES for CID 174976037 is C=Cc1ccc(C)cc1.[B].
What is the InChIKey of CID 174976037?
The InChIKey is STDZRWUYHFILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.B/c1-3-9-6-4-8(2)5-7-9;/h3-7H,1H2,2H3;.
What are the key properties of CID 174976037?
CID 174976037 has a molecular weight of 128.99 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174976037 is sourced from PubChem (CID 174976037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).