3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid

CAS
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CAS
93777-77-6
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM93777776

Product Name

3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid

Structure

Structure

CAS

93777-77-6

Category

Heterocyclic Organic Compound

Synonyms

EINECS 298-111-4, CID3022312, 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid, 93777-77-6

IUPAC Name

3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid

Molecular Weight

262.344080 [g/mol]

Molecular Formula

C₁₆H₂₂O₃

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C2CCCC2)C(=O)O

InChI Key

RMAAIZNPBRPHRL-UHFFFAOYSA-N

Boiling Point

346.6ºC at 760mmHg

Flash Point

177.6ºC

Density

1.137g/cm³

EC Number

298-111-4

Exact Mass

262.15700

H-Bond Acceptor

3

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid?

The molecular formula is C16H22O3.

When was this compound created and last modified?

It was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C16H22O3/c1-16(2,3)13-9-11(15(18)19)8-12(14(13)17)10-6-4-5-7-10/h8-10,17H,4-7H2,1-3H3,(H,18,19).

What is the InChIKey of the compound?

The InChIKey is RMAAIZNPBRPHRL-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC(C)(C)C1=CC(=CC(=C1O)C2CCCC2)C(=O)O.

What is the CAS number of the compound?

The CAS number is 93777-77-6.

What is the molecular weight of the compound?

The molecular weight is 262.34 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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