anthracene-2-carboxylate

C15H9O2- — CID 11160355

IUPACanthracene-2-carboxylate
SMILESO=C([O-])c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)/p-1
InChIKeyRZRJYURCNBXIST-UHFFFAOYSA-M
MW221.23 g/mol
LogP2.36
Rot. Bonds1

About anthracene-2-carboxylate

anthracene-2-carboxylate (PubChem CID 11160355) has the molecular formula C15H9O2- and a molecular weight of 221.23 g/mol. Its IUPAC name is anthracene-2-carboxylate.

Molecular Properties

Compound Nameanthracene-2-carboxylate
PubChem CID11160355
Molecular FormulaC15H9O2-
Molecular Weight221.23 g/mol
Exact Mass221.06
IUPAC Nameanthracene-2-carboxylate
SMILESO=C([O-])c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)/p-1
InChIKeyRZRJYURCNBXIST-UHFFFAOYSA-M
XLogP2.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracene-2,6-dicarboxylate
CID 86309851
potassium naphthalene-2-carboxylate
CID 23664129
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
CID 175019109
magnesium naphthalene-2,6-dicarboxylate
CID 67200509
hexacene-2-carboxylic acid
CID 87430666
di(propan-2-yl)azanium;naphthalene-2-carboxylate
CID 21407073
anthracene-2-carboxylate;[(1S)-1-cyclohexylethyl]azanium
CID 139190321
bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)
CID 172907782
tetracene-2-carboxamide;hydrobromide
CID 22400124
N-oxotetracene-2-carboxamide
CID 22400129

Frequently Asked Questions

What is the IUPAC name of anthracene-2-carboxylate?
The IUPAC name of anthracene-2-carboxylate (CID 11160355) is anthracene-2-carboxylate.
What is the SMILES notation for anthracene-2-carboxylate?
The canonical SMILES for anthracene-2-carboxylate is O=C([O-])c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene-2-carboxylate?
The InChIKey is RZRJYURCNBXIST-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)/p-1.
What are the key properties of anthracene-2-carboxylate?
anthracene-2-carboxylate has a molecular weight of 221.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-2-carboxylate is sourced from PubChem (CID 11160355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).