CAS
93777-71-0 Purity
96%
93777-71-0 Purity
96%
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3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid
CAS
93777-77-6
Catalog Number
ACM93777776
Category
Other Products
Molecular Weight
262.344080 [g/mol]
Molecular Formula
C16H22O3
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Specification
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
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
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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