6-methylazulene-2-carboxylic acid

C12H10O2 — CID 57055895

IUPAC6-methylazulene-2-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)cc-2cc1
InChIInChI=1S/C12H10O2/c1-8-2-4-9-6-11(12(13)14)7-10(9)5-3-8/h2-7H,1H3,(H,13,14)
InChIKeyVYIQCKXWBWMWSP-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.80
Rot. Bonds1

About 6-methylazulene-2-carboxylic acid

6-methylazulene-2-carboxylic acid (PubChem CID 57055895) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-methylazulene-2-carboxylic acid.

Molecular Properties

Compound Name6-methylazulene-2-carboxylic acid
PubChem CID57055895
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name6-methylazulene-2-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)cc-2cc1
InChIInChI=1S/C12H10O2/c1-8-2-4-9-6-11(12(13)14)7-10(9)5-3-8/h2-7H,1H3,(H,13,14)
InChIKeyVYIQCKXWBWMWSP-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methylazulene-2-carboxylic acid?
The IUPAC name of 6-methylazulene-2-carboxylic acid (CID 57055895) is 6-methylazulene-2-carboxylic acid.
What is the SMILES notation for 6-methylazulene-2-carboxylic acid?
The canonical SMILES for 6-methylazulene-2-carboxylic acid is Cc1ccc2cc(C(=O)O)cc-2cc1.
What is the InChIKey of 6-methylazulene-2-carboxylic acid?
The InChIKey is VYIQCKXWBWMWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-8-2-4-9-6-11(12(13)14)7-10(9)5-3-8/h2-7H,1H3,(H,13,14).
What are the key properties of 6-methylazulene-2-carboxylic acid?
6-methylazulene-2-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylazulene-2-carboxylic acid is sourced from PubChem (CID 57055895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).