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Structure

Benzeneacetic acid,4-hydroxy-a-methyl-

CAS
938-96-5
Catalog Number
ACM938965
Category
Other Products
Molecular Weight
166.17
Molecular Formula
C9H10 O3

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Specification

Synonyms
2-(4-HYDROXYPHENYL)PROPIONIC ACID;
IUPAC Name
2-(4-hydroxyphenyl)propanoic acid
Canonical SMILES
CC(C1=CC=C(C=C1)O)C(=O)O
InChI Key
ZHMMPVANGNPCBW-UHFFFAOYSA-N
Boiling Point
328.3ºC at 760mmHg
Melting Point
131.6ºC
Flash Point
166.5ºC
Density
1.253g/cm³
Appearance
white to slightly beige cryst. powder or chunks
EC Number
213-352-7
Exact Mass
166.06300
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
Safety Description
37/39-26
What is the molecular formula of Benzeneacetic acid,4-hydroxy-a-methyl according to the reference?

The molecular formula is C9H10O3.

What is the molecular weight of Benzeneacetic acid,4-hydroxy-a-methyl?

The molecular weight is 166.17 g/mol.

What is the IUPAC name of Benzeneacetic acid,4-hydroxy-a-methyl?

The IUPAC name is 2-(4-hydroxyphenyl)propanoic acid.

What is the Canonical SMILES of Benzeneacetic acid,4-hydroxy-a-methyl?

The Canonical SMILES is CC(C1=CC=C(C=C1)O)C(=O)O.

What is the InChI Key of Benzeneacetic acid,4-hydroxy-a-methyl?

The InChI Key is ZHMMPVANGNPCBW-UHFFFAOYSA-N.

Which other identifiers are associated with Benzeneacetic acid,4-hydroxy-a-methyl?

Other identifiers include CAS number 938-96-5, EC number 213-352-7, UNII 55FH3476SI, and more.

What is the exact mass of Benzeneacetic acid,4-hydroxy-a-methyl?

The exact mass is 166.062994177 g/mol.

How many hydrogen bond donor and acceptor counts does Benzeneacetic acid,4-hydroxy-a-methyl have?

It has 2 hydrogen bond donor counts and 3 hydrogen bond acceptor counts.

What is the topological polar surface area of Benzeneacetic acid,4-hydroxy-a-methyl?

The topological polar surface area is 57.5 Å2.

How many rotatable bond counts does Benzeneacetic acid,4-hydroxy-a-methyl have?

It has 2 rotatable bond counts.

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