nitric acid;1,3-xylene

C8H11NO3 — CID 172865118

IUPACnitric acid;1,3-xylene
SMILESCc1cccc(C)c1.O=[N+]([O-])O
InChIInChI=1S/C8H10.HNO3/c1-7-4-3-5-8(2)6-7;2-1(3)4/h3-6H,1-2H3;(H,2,3,4)
InChIKeyZWPWXDGMDFVFPQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.96
Rot. Bonds

About nitric acid;1,3-xylene

nitric acid;1,3-xylene (PubChem CID 172865118) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is nitric acid;1,3-xylene.

Molecular Properties

Compound Namenitric acid;1,3-xylene
PubChem CID172865118
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namenitric acid;1,3-xylene
SMILESCc1cccc(C)c1.O=[N+]([O-])O
InChIInChI=1S/C8H10.HNO3/c1-7-4-3-5-8(2)6-7;2-1(3)4/h3-6H,1-2H3;(H,2,3,4)
InChIKeyZWPWXDGMDFVFPQ-UHFFFAOYSA-N
XLogP1.96
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-nitrobenzene
CID 7422
ethane;methanol;1,3-xylene
CID 156743127
1-methyl-3-nitrobenzene chloride
CID 20509973
azane;1-methyl-3-nitrobenzene
CID 174504430
ethane;1,3-xylene
CID 54570178
phosphane;tris(1,3-xylene)
CID 67351774
argon;1,3-xylene
CID 161468194
uranium;1,3-xylene
CID 142096795
sulfuric acid;1,3-xylene
CID 70361760
carbon dioxide;1,3-xylene
CID 160806691
dioxoosmium;1,3-xylene
CID 57347095
1,3-dinitrobenzene;3-methylaniline
CID 158923372

Frequently Asked Questions

What is the IUPAC name of nitric acid;1,3-xylene?
The IUPAC name of nitric acid;1,3-xylene (CID 172865118) is nitric acid;1,3-xylene.
What is the SMILES notation for nitric acid;1,3-xylene?
The canonical SMILES for nitric acid;1,3-xylene is Cc1cccc(C)c1.O=[N+]([O-])O.
What is the InChIKey of nitric acid;1,3-xylene?
The InChIKey is ZWPWXDGMDFVFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.HNO3/c1-7-4-3-5-8(2)6-7;2-1(3)4/h3-6H,1-2H3;(H,2,3,4).
What are the key properties of nitric acid;1,3-xylene?
nitric acid;1,3-xylene has a molecular weight of 169.18 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;1,3-xylene is sourced from PubChem (CID 172865118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).