cyanic acid;1,3-xylene

C10H12N2O2 — CID 174785758

IUPACcyanic acid;1,3-xylene
SMILESCc1cccc(C)c1.N#CO.N#CO
InChIInChI=1S/C8H10.2CHNO/c1-7-4-3-5-8(2)6-7;2*2-1-3/h3-6H,1-2H3;2*3H
InChIKeyGYNDHSHAYGDZQA-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.98
Rot. Bonds

About cyanic acid;1,3-xylene

cyanic acid;1,3-xylene (PubChem CID 174785758) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is cyanic acid;1,3-xylene.

Molecular Properties

Compound Namecyanic acid;1,3-xylene
PubChem CID174785758
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namecyanic acid;1,3-xylene
SMILESCc1cccc(C)c1.N#CO.N#CO
InChIInChI=1S/C8H10.2CHNO/c1-7-4-3-5-8(2)6-7;2*2-1-3/h3-6H,1-2H3;2*3H
InChIKeyGYNDHSHAYGDZQA-UHFFFAOYSA-N
XLogP1.98
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

bis(acetonitrile);azane;1,3-xylene
CID 70638628
ethane;methanol;1,3-xylene
CID 156743127
uranium;1,3-xylene
CID 142096795
phosphane;tris(1,3-xylene)
CID 67351774
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178
carbon dioxide;1,3-xylene
CID 160806691
azane;1,3-xylene;hydrochloride
CID 175000695
ethane;methane;1,3-xylene
CID 145463381
3-methylphenol thiocyanate
CID 20976814
ethane;1,3-xylene;1,4-xylene
CID 145425556
methane;1,3-xylene;1,4-xylene
CID 161051420

Frequently Asked Questions

What is the IUPAC name of cyanic acid;1,3-xylene?
The IUPAC name of cyanic acid;1,3-xylene (CID 174785758) is cyanic acid;1,3-xylene.
What is the SMILES notation for cyanic acid;1,3-xylene?
The canonical SMILES for cyanic acid;1,3-xylene is Cc1cccc(C)c1.N#CO.N#CO.
What is the InChIKey of cyanic acid;1,3-xylene?
The InChIKey is GYNDHSHAYGDZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2CHNO/c1-7-4-3-5-8(2)6-7;2*2-1-3/h3-6H,1-2H3;2*3H.
What are the key properties of cyanic acid;1,3-xylene?
cyanic acid;1,3-xylene has a molecular weight of 192.22 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;1,3-xylene is sourced from PubChem (CID 174785758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).