2-hydroxybenzoic acid;methyl acetate

C10H12O5 — CID 157381538

IUPAC2-hydroxybenzoic acid;methyl acetate
SMILESCOC(C)=O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C3H6O2/c8-6-4-2-1-3-5(6)7(9)10;1-3(4)5-2/h1-4,8H,(H,9,10);1-2H3
InChIKeyBKYBBZXFFJPUNH-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.27
Rot. Bonds1

About 2-hydroxybenzoic acid;methyl acetate

2-hydroxybenzoic acid;methyl acetate (PubChem CID 157381538) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;methyl acetate.

Molecular Properties

Compound Name2-hydroxybenzoic acid;methyl acetate
PubChem CID157381538
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-hydroxybenzoic acid;methyl acetate
SMILESCOC(C)=O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C3H6O2/c8-6-4-2-1-3-5(6)7(9)10;1-3(4)5-2/h1-4,8H,(H,9,10);1-2H3
InChIKeyBKYBBZXFFJPUNH-UHFFFAOYSA-N
XLogP1.27
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
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gadolinium;tris(2-hydroxybenzoic acid)
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chromium;2-hydroxybenzoic acid
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2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
sodium;2-hydroxybenzoic acid;acetate
CID 174935764
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
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CID 68579561

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;methyl acetate?
The IUPAC name of 2-hydroxybenzoic acid;methyl acetate (CID 157381538) is 2-hydroxybenzoic acid;methyl acetate.
What is the SMILES notation for 2-hydroxybenzoic acid;methyl acetate?
The canonical SMILES for 2-hydroxybenzoic acid;methyl acetate is COC(C)=O.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;methyl acetate?
The InChIKey is BKYBBZXFFJPUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C3H6O2/c8-6-4-2-1-3-5(6)7(9)10;1-3(4)5-2/h1-4,8H,(H,9,10);1-2H3.
What are the key properties of 2-hydroxybenzoic acid;methyl acetate?
2-hydroxybenzoic acid;methyl acetate has a molecular weight of 212.20 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;methyl acetate is sourced from PubChem (CID 157381538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).