3,5-Dihydroxybenzyl alcohol

• CAS: 29654-55-5
• Catalog Number: ACM-MO-29654555
• Category: Alcohols; Dendrimer Building Blocks
• Molecular Weight: 140.14 g/mol
• Molecular Formula: C7H8O3
• Synonyms: 5-(hydroxymethyl)benzene-1,3-diol
• IUPAC Name: 5-(hydroxymethyl)benzene-1,3-diol
• Canonical SMILES: C1=C(C=C(C=C1O)O)CO
• InChI: InChI=1S/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2
• InChI Key: NGYYFWGABVVEPL-UHFFFAOYSA-N
• Boiling Point: 216.5 °C
• Melting Point: 182-186 °C
• Appearance: White to Light Yellow to Light Red Powder to Crystal
• Storage: Refrigerator
• Complexity: 95
• Covalently-Bonded Unit Count: 1
• EC Number: 249-751-8
• Exact Mass: 140.047344g/mol
• Formal Charge: 0
• Hazard Statements: H302-H410
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 10
• Monoisotopic Mass: 140.047344g/mol
• Refractive Index: 1.4638 (estimate)
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 1
• Specific Gravity: 1.21
• Symbol: GHS07
• XLogP3: 0.3

Custom Q&A

What is the molecular formula of 3,5-Dihydroxybenzyl alcohol?

The molecular formula of 3,5-Dihydroxybenzyl alcohol is C7H8O3.

What is the IUPAC name of 3,5-Dihydroxybenzyl alcohol?

The IUPAC name of 3,5-Dihydroxybenzyl alcohol is 5-(hydroxymethyl)benzene-1,3-diol.

What is the InChI of 3,5-Dihydroxybenzyl alcohol?

The InChI of 3,5-Dihydroxybenzyl alcohol is InChI=1S/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2.

What is the InChIKey of 3,5-Dihydroxybenzyl alcohol?

The InChIKey of 3,5-Dihydroxybenzyl alcohol is NGYYFWGABVVEPL-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Dihydroxybenzyl alcohol?

The canonical SMILES of 3,5-Dihydroxybenzyl alcohol is C1=C(C=C(C=C1O)O)CO.

What is the CAS number of 3,5-Dihydroxybenzyl alcohol?

The CAS number of 3,5-Dihydroxybenzyl alcohol is 29654-55-5.

What is the molecular weight of 3,5-Dihydroxybenzyl alcohol?

The molecular weight of 3,5-Dihydroxybenzyl alcohol is 140.14 g/mol.

How many hydrogen bond donor counts are there in 3,5-Dihydroxybenzyl alcohol?

There are 3 hydrogen bond donor counts in 3,5-Dihydroxybenzyl alcohol.

How many rotatable bond counts are there in 3,5-Dihydroxybenzyl alcohol?

There is 1 rotatable bond count in 3,5-Dihydroxybenzyl alcohol.

What is the topological polar surface area of 3,5-Dihydroxybenzyl alcohol?

The topological polar surface area of 3,5-Dihydroxybenzyl alcohol is 60.7 Ų.