2,3-dimethylbenzoic acid

C9H10O2 — CID 11782

IUPAC2,3-dimethylbenzoic acid
SMILESCc1cccc(C(=O)O)c1C
InChIInChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyRIZUCYSQUWMQLX-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.00
Rot. Bonds1

About 2,3-dimethylbenzoic acid

2,3-dimethylbenzoic acid (PubChem CID 11782) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name2,3-dimethylbenzoic acid
PubChem CID11782
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2,3-dimethylbenzoic acid
SMILESCc1cccc(C(=O)O)c1C
InChIInChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyRIZUCYSQUWMQLX-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 243
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Isophthalic Acid
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P-Toluic Acid
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Monobutyl phthalate
CID 8575
Monomethyl phthalate
CID 20392
4-tert-Butylbenzoic acid
CID 7403
2-Methylbenzoic acid
CID 8373

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzoic acid?
The IUPAC name of 2,3-dimethylbenzoic acid (CID 11782) is 2,3-dimethylbenzoic acid.
What is the SMILES notation for 2,3-dimethylbenzoic acid?
The canonical SMILES for 2,3-dimethylbenzoic acid is Cc1cccc(C(=O)O)c1C.
What is the InChIKey of 2,3-dimethylbenzoic acid?
The InChIKey is RIZUCYSQUWMQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11).
What are the key properties of 2,3-dimethylbenzoic acid?
2,3-dimethylbenzoic acid has a molecular weight of 150.18 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzoic acid is sourced from PubChem (CID 11782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).