CAS
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3-Methylmandelic acid
Catalog Number
ACMA00000501
Category
Alcohols
Molecular Weight
166.17
Molecular Formula
C9H10O
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Specification
Hazard Statements
H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 3-Methylmandelic acid?
The molecular formula of 3-Methylmandelic acid is C9H10O3.
What is the molecular weight of 3-Methylmandelic acid?
The molecular weight of 3-Methylmandelic acid is 166.17 g/mol.
What is the IUPAC name of 3-Methylmandelic acid?
The IUPAC name of 3-Methylmandelic acid is 2-hydroxy-2-(3-methylphenyl)acetic acid.
What is the InChI of 3-Methylmandelic acid?
The InChI of 3-Methylmandelic acid is InChI=1S/C9H10O3/c1-6-3-2-4-7(5-6)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12).
What is the InChIKey of 3-Methylmandelic acid?
The InChIKey of 3-Methylmandelic acid is ASTGXUHKUFFOQX-UHFFFAOYSA-N.
What is the CAS number of 3-Methylmandelic acid?
The CAS number of 3-Methylmandelic acid is 65148-70-1.
What is the XLogP3 value of 3-Methylmandelic acid?
The XLogP3 value of 3-Methylmandelic acid is 1.
How many hydrogen bond donor counts does 3-Methylmandelic acid have?
3-Methylmandelic acid has 2 hydrogen bond donor counts.
How many rotatable bond counts does 3-Methylmandelic acid have?
3-Methylmandelic acid has 2 rotatable bond counts.
Is 3-Methylmandelic acid the canonicalized compound?
Yes, 3-Methylmandelic acid is the canonicalized compound.
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