CAS
10401-11-3 Purity
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10401-11-3 Purity
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4-Ethynylbenzyl Alcohol
CAS
10602-04-7
Catalog Number
ACM10602047-1
Category
Alkynes
Molecular Weight
132.16
Molecular Formula
C9H8O
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Specification
Synonyms
(4-Ethynylphenyl)Methanol
Canonical SMILES
C#CC1=CC=C(C=C1)CO
Appearance
Powder or crystalline
Hazard Statements
H315-H319-H335
RIDADR
UN 1993BF 3 / PGII
Symbol
GHS07
What is the molecular formula of 4-Ethynylbenzyl alcohol?
The molecular formula of 4-Ethynylbenzyl alcohol is C9H8O.
What is the molecular weight of 4-Ethynylbenzyl alcohol?
The molecular weight of 4-Ethynylbenzyl alcohol is 132.16 g/mol.
What is the IUPAC name of 4-Ethynylbenzyl alcohol?
The IUPAC name of 4-Ethynylbenzyl alcohol is (4-ethynylphenyl)methanol.
What is the InChI of 4-Ethynylbenzyl alcohol?
The InChI of 4-Ethynylbenzyl alcohol is InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6,10H,7H2.
What is the InChIKey of 4-Ethynylbenzyl alcohol?
The InChIKey of 4-Ethynylbenzyl alcohol is QCZORVSTESPHCO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 4-Ethynylbenzyl alcohol have?
4-Ethynylbenzyl alcohol has one hydrogen bond donor count.
What is the XLogP3 value of 4-Ethynylbenzyl alcohol?
The XLogP3 value of 4-Ethynylbenzyl alcohol is 1.5.
How many rotatable bond counts does 4-Ethynylbenzyl alcohol have?
4-Ethynylbenzyl alcohol has two rotatable bond counts.
What is the topological polar surface area of 4-Ethynylbenzyl alcohol?
The topological polar surface area of 4-Ethynylbenzyl alcohol is 20.2 Ų.
Is 4-Ethynylbenzyl alcohol a canonicalized compound?
Yes, 4-Ethynylbenzyl alcohol is a canonicalized compound.
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