formic acid;1,2-xylene

C10H14O4 — CID 175948526

IUPACformic acid;1,2-xylene
SMILESCc1ccccc1C.O=CO.O=CO
InChIInChI=1S/C8H10.2CH2O2/c1-7-5-3-4-6-8(7)2;2*2-1-3/h3-6H,1-2H3;2*1H,(H,2,3)
InChIKeyGARDCMFCNXVDAP-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.71
Rot. Bonds

About formic acid;1,2-xylene

formic acid;1,2-xylene (PubChem CID 175948526) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is formic acid;1,2-xylene.

Molecular Properties

Compound Nameformic acid;1,2-xylene
PubChem CID175948526
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameformic acid;1,2-xylene
SMILESCc1ccccc1C.O=CO.O=CO
InChIInChI=1S/C8H10.2CH2O2/c1-7-5-3-4-6-8(7)2;2*2-1-3/h3-6H,1-2H3;2*1H,(H,2,3)
InChIKeyGARDCMFCNXVDAP-UHFFFAOYSA-N
XLogP1.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formic acid;1,2-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 175437341
CID 175437341
1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
dihydroxy(oxo)phosphanium;tris(1,2-xylene)
CID 175961535
sulfuric acid;bis(1,2-xylene)
CID 174805286
2,3-dimethylaniline;formic acid
CID 66886773

Frequently Asked Questions

What is the IUPAC name of formic acid;1,2-xylene?
The IUPAC name of formic acid;1,2-xylene (CID 175948526) is formic acid;1,2-xylene.
What is the SMILES notation for formic acid;1,2-xylene?
The canonical SMILES for formic acid;1,2-xylene is Cc1ccccc1C.O=CO.O=CO.
What is the InChIKey of formic acid;1,2-xylene?
The InChIKey is GARDCMFCNXVDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2CH2O2/c1-7-5-3-4-6-8(7)2;2*2-1-3/h3-6H,1-2H3;2*1H,(H,2,3).
What are the key properties of formic acid;1,2-xylene?
formic acid;1,2-xylene has a molecular weight of 198.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1,2-xylene is sourced from PubChem (CID 175948526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).