CAS
96930-24-4 Purity
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96930-24-4 Purity
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4-Hydroxymethylbenzoic acid
CAS
96937-45-0
Catalog Number
ACM96937450
Category
Other Products
Molecular Weight
152.15
Molecular Formula
C8H8O3
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Specification
Synonyms
4-CARBOXYBENZYL ALCOHOL;HMBA;RARECHEM AL BO 1443;4-HYDROXYMETHYLBENZOIC ACID-OH)
IUPAC Name
4-(hydroxymethyl)benzoic acid
Canonical SMILES
C1=CC(=CC=C1CO)C(=O)O
InChI Key
WWYFPDXEIFBNKE-UHFFFAOYSA-N
Boiling Point
347.4ºC at 760 mmHg
Melting Point
182-185ºC(lit.)
Flash Point
178.1ºC
Density
1.314 g/cm³
Appearance
White Powder
Exact Mass
152.04700
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
2
Safety Description
26-36
What is the molecular formula of 4-Hydroxymethylbenzoic acid?
The molecular formula of 4-Hydroxymethylbenzoic acid is C8H8O3.
What is the molecular weight of 4-Hydroxymethylbenzoic acid?
The molecular weight of 4-Hydroxymethylbenzoic acid is 152.15 g/mol.
What is the IUPAC name of 4-Hydroxymethylbenzoic acid?
The IUPAC name of 4-Hydroxymethylbenzoic acid is 4-(hydroxymethyl)benzoic acid.
What is the InChI of 4-Hydroxymethylbenzoic acid?
The InChI of 4-Hydroxymethylbenzoic acid is InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11).
What is the Canonical SMILES of 4-Hydroxymethylbenzoic acid?
The Canonical SMILES of 4-Hydroxymethylbenzoic acid is C1=CC(=CC=C1CO)C(=O)O.
What is the CAS number of 4-Hydroxymethylbenzoic acid?
The CAS number of 4-Hydroxymethylbenzoic acid is 3006-96-0.
How many hydrogen bond donor counts are there in 4-Hydroxymethylbenzoic acid?
There are 2 hydrogen bond donor counts in 4-Hydroxymethylbenzoic acid.
How many hydrogen bond acceptor counts are there in 4-Hydroxymethylbenzoic acid?
There are 3 hydrogen bond acceptor counts in 4-Hydroxymethylbenzoic acid.
What is the topological polar surface area of 4-Hydroxymethylbenzoic acid?
The topological polar surface area of 4-Hydroxymethylbenzoic acid is 57.5 ?2.
Is 4-Hydroxymethylbenzoic acid a canonicalized compound?
Yes, 4-Hydroxymethylbenzoic acid is a canonicalized compound.
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