Anisoin

• CAS: 119-52-8
• Catalog Number: ACM119528
• Category: Polymer/Macromolecule
• Molecular Weight: 272.3
• Molecular Formula: C₁₆H₁₆O₄
• Synonyms: LABOTEST-BB LT00068611;ANISOIN;4,4-DIMETHOXYBENZOIN;2-HYDROXY-1,2-BIS-(4-METHOXY-PHENYL)-ETHANONE;P-ANISOIN;P,P-DIMETHOXYBENZOIN;P,P-DIMETHOXYBENZOYLPHENYLCARBINOL;TIMTEC-BB SBB006267
• IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
• Canonical SMILES: COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)O
• InChI Key: LRRQSCPPOIUNGX-UHFFFAOYSA-N
• Boiling Point: 459.4ºC at 760 mmHg
• Melting Point: 109-114ºC
• Flash Point: 171ºC
• Density: 1.194 g/cm³
• Appearance: yellow powder
• EC Number: 204-330-8
• Exact Mass: 272.10500
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Safety Description: S24/25
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of the compound mentioned in the reference?

The PubChem CID of the compound is 95415.

What is the molecular formula of the compound?

The molecular formula of the compound is C16H16O4.

What are the synonyms of the compound?

The synonyms of the compound are Anisoin, 2-Hydroxy-1,2-bis(4-methoxyphenyl)ethanone, 4,4'-Dimethoxybenzoin, and p-Anisoin.

What is the molecular weight of the compound?

The molecular weight of the compound is 272.29 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is LRRQSCPPOIUNGX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)O.

What is the CAS number of the compound?

The CAS number of the compound is 119-52-8.

Is the compound canonicalized?

Yes, the compound is canonicalized.