formic acid;1,3-xylene;hydrochloride

C9H13ClO2 — CID 143757587

IUPACformic acid;1,3-xylene;hydrochloride
SMILESCc1cccc(C)c1.Cl.O=CO
InChIInChI=1S/C8H10.CH2O2.ClH/c1-7-4-3-5-8(2)6-7;2-1-3;/h3-6H,1-2H3;1H,(H,2,3);1H
InChIKeyGABCGJKFILLCAR-UHFFFAOYSA-N
MW188.65 g/mol
LogP2.43
Rot. Bonds

About formic acid;1,3-xylene;hydrochloride

formic acid;1,3-xylene;hydrochloride (PubChem CID 143757587) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is formic acid;1,3-xylene;hydrochloride.

Molecular Properties

Compound Nameformic acid;1,3-xylene;hydrochloride
PubChem CID143757587
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Nameformic acid;1,3-xylene;hydrochloride
SMILESCc1cccc(C)c1.Cl.O=CO
InChIInChI=1S/C8H10.CH2O2.ClH/c1-7-4-3-5-8(2)6-7;2-1-3;/h3-6H,1-2H3;1H,(H,2,3);1H
InChIKeyGABCGJKFILLCAR-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxaldehydic acid;1,3-xylene
CID 175563573
azane;1,3-xylene;hydrochloride
CID 175000695
ethane;methanol;1,3-xylene
CID 156743127
N,N-dimethylformamide;1,3-xylene
CID 175545564
argon;1,3-xylene
CID 161468194
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
ethane;1,3-xylene
CID 54570178
sulfuric acid;1,3-xylene
CID 70361760
carbon dioxide;1,3-xylene
CID 160806691
dioxoosmium;1,3-xylene
CID 57347095
acetic acid;azane;1,3-xylene
CID 21426934

Frequently Asked Questions

What is the IUPAC name of formic acid;1,3-xylene;hydrochloride?
The IUPAC name of formic acid;1,3-xylene;hydrochloride (CID 143757587) is formic acid;1,3-xylene;hydrochloride.
What is the SMILES notation for formic acid;1,3-xylene;hydrochloride?
The canonical SMILES for formic acid;1,3-xylene;hydrochloride is Cc1cccc(C)c1.Cl.O=CO.
What is the InChIKey of formic acid;1,3-xylene;hydrochloride?
The InChIKey is GABCGJKFILLCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.CH2O2.ClH/c1-7-4-3-5-8(2)6-7;2-1-3;/h3-6H,1-2H3;1H,(H,2,3);1H.
What are the key properties of formic acid;1,3-xylene;hydrochloride?
formic acid;1,3-xylene;hydrochloride has a molecular weight of 188.65 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1,3-xylene;hydrochloride is sourced from PubChem (CID 143757587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).