2-Hydroxyterephthalic Acid

Catalog Number	ACM636942-2
CAS	636-94-2
Structure
Synonyms	H2BDC-OH
IUPAC Name	2-hydroxyterephthalic acid
Molecular Weight	182.13
Molecular Formula	C8H6O5
Canonical SMILES	C1=CC(=C(C=C1C(=O)O)O)C(=O)O
InChI	1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChI Key	CDOWNLMZVKJRSC-UHFFFAOYSA-N
Boiling Point	436.93 °C at 760 mmHg (Predicted)
Melting Point	312-317 °C
Purity	97%
Appearance	Crystalline
Storage	Store under inert gas, 2-8℃
Complexity	225
Covalently-Bonded Unit Count	1
Exact Mass	182.021523g/mol
Formal Charge	0
Heavy Atom Count	13
MDL Number	MFCD09835368
Monoisotopic Mass	182.021523g/mol
Rotatable Bond Count	2

Q&A

What is the molecular formula of 2-Hydroxyterephthalic acid?

The molecular formula of 2-Hydroxyterephthalic acid is C8H6O5.

What is the molecular weight of 2-Hydroxyterephthalic acid?

The molecular weight of 2-Hydroxyterephthalic acid is 182.13 g/mol.

What is the IUPAC name of 2-Hydroxyterephthalic acid?

The IUPAC name of 2-Hydroxyterephthalic acid is 2-hydroxyterephthalic acid.

What is the InChI of 2-Hydroxyterephthalic acid?

The InChI of 2-Hydroxyterephthalic acid is InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13).

What is the InChIKey of 2-Hydroxyterephthalic acid?

The InChIKey of 2-Hydroxyterephthalic acid is CDOWNLMZVKJRSC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Hydroxyterephthalic acid?

The canonical SMILES of 2-Hydroxyterephthalic acid is C1=CC(=C(C=C1C(=O)O)O)C(=O)O.

What is the CAS number of 2-Hydroxyterephthalic acid?

The CAS number of 2-Hydroxyterephthalic acid is 636-94-2.

What is the EC number of 2-Hydroxyterephthalic acid?

The EC number of 2-Hydroxyterephthalic acid is 692-426-4.

What is the Lot Number of 2-Hydroxyterephthalic acid?

The reference does not provide information on the Lot Number of 2-Hydroxyterephthalic acid.

What is the hydrogen bond donor count of 2-Hydroxyterephthalic acid?

The hydrogen bond donor count of 2-Hydroxyterephthalic acid is 3.