2-carboxyphenolate;ethane;methane

C11H19O3- — CID 158005371

IUPAC2-carboxyphenolate;ethane;methane
SMILESC.C.CC.O=C(O)c1ccccc1[O-]
InChIInChI=1S/C7H6O3.C2H6.2CH4/c8-6-4-2-1-3-5(6)7(9)10;1-2;;/h1-4,8H,(H,9,10);1-2H3;2*1H4/p-1
InChIKeyFEFNUMJXAAZKMB-UHFFFAOYSA-M
MW199.27 g/mol
LogP2.76
Rot. Bonds1

About 2-carboxyphenolate;ethane;methane

2-carboxyphenolate;ethane;methane (PubChem CID 158005371) has the molecular formula C11H19O3- and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-carboxyphenolate;ethane;methane.

Molecular Properties

Compound Name2-carboxyphenolate;ethane;methane
PubChem CID158005371
Molecular FormulaC11H19O3-
Molecular Weight199.27 g/mol
Exact Mass199.13
IUPAC Name2-carboxyphenolate;ethane;methane
SMILESC.C.CC.O=C(O)c1ccccc1[O-]
InChIInChI=1S/C7H6O3.C2H6.2CH4/c8-6-4-2-1-3-5(6)7(9)10;1-2;;/h1-4,8H,(H,9,10);1-2H3;2*1H4/p-1
InChIKeyFEFNUMJXAAZKMB-UHFFFAOYSA-M
XLogP2.76
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

copper bis(2-carboxyphenolate)
CID 54683201
2-carboxyphenolate;gold(1+)
CID 54682314
dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
potassium 2-carboxyphenolate
CID 23689489
dicalcium bis(2-carboxyphenolate)
CID 158572383
magnesium tris(2-carboxyphenolate)
CID 54714197
dilithium bis(2-carboxyphenolate)
CID 54690284
triazanium;tris(2-carboxyphenolate)
CID 172802459
magnesium bis(2-carboxyphenolate)
CID 54684589
2-carboxyphenolate carbonate
CID 54676053
magnesium;bis(2-carboxyphenolate);trihydrate
CID 172729284
diazanium;bis(2-carboxyphenolate);oxovanadium
CID 173457908

Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;ethane;methane?
The IUPAC name of 2-carboxyphenolate;ethane;methane (CID 158005371) is 2-carboxyphenolate;ethane;methane.
What is the SMILES notation for 2-carboxyphenolate;ethane;methane?
The canonical SMILES for 2-carboxyphenolate;ethane;methane is C.C.CC.O=C(O)c1ccccc1[O-].
What is the InChIKey of 2-carboxyphenolate;ethane;methane?
The InChIKey is FEFNUMJXAAZKMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.C2H6.2CH4/c8-6-4-2-1-3-5(6)7(9)10;1-2;;/h1-4,8H,(H,9,10);1-2H3;2*1H4/p-1.
What are the key properties of 2-carboxyphenolate;ethane;methane?
2-carboxyphenolate;ethane;methane has a molecular weight of 199.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate;ethane;methane is sourced from PubChem (CID 158005371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).