methyl 2-hydroxybenzoate;urea

C9H12N2O4 — CID 174888687

IUPACmethyl 2-hydroxybenzoate;urea
SMILESCOC(=O)c1ccccc1O.NC(N)=O
InChIInChI=1S/C8H8O3.CH4N2O/c1-11-8(10)6-4-2-3-5-7(6)9;2-1(3)4/h2-5,9H,1H3;(H4,2,3,4)
InChIKeyAYHZALRQDWZEPP-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.20
Rot. Bonds1

About methyl 2-hydroxybenzoate;urea

methyl 2-hydroxybenzoate;urea (PubChem CID 174888687) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is methyl 2-hydroxybenzoate;urea.

Molecular Properties

Compound Namemethyl 2-hydroxybenzoate;urea
PubChem CID174888687
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Namemethyl 2-hydroxybenzoate;urea
SMILESCOC(=O)c1ccccc1O.NC(N)=O
InChIInChI=1S/C8H8O3.CH4N2O/c1-11-8(10)6-4-2-3-5-7(6)9;2-1(3)4/h2-5,9H,1H3;(H4,2,3,4)
InChIKeyAYHZALRQDWZEPP-UHFFFAOYSA-N
XLogP0.20
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-hydroxybenzoate;pyrimidine
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dimethyl benzene-1,2-dicarboxylate;methane
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1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
CID 158443718
carbonic acid;methyl 2-hydroxybenzoate;phenyl hydrogen carbonate
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ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxybenzoate;urea?
The IUPAC name of methyl 2-hydroxybenzoate;urea (CID 174888687) is methyl 2-hydroxybenzoate;urea.
What is the SMILES notation for methyl 2-hydroxybenzoate;urea?
The canonical SMILES for methyl 2-hydroxybenzoate;urea is COC(=O)c1ccccc1O.NC(N)=O.
What is the InChIKey of methyl 2-hydroxybenzoate;urea?
The InChIKey is AYHZALRQDWZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.CH4N2O/c1-11-8(10)6-4-2-3-5-7(6)9;2-1(3)4/h2-5,9H,1H3;(H4,2,3,4).
What are the key properties of methyl 2-hydroxybenzoate;urea?
methyl 2-hydroxybenzoate;urea has a molecular weight of 212.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxybenzoate;urea is sourced from PubChem (CID 174888687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).